Showing 1–50 of 254 results for author: Shen, X

Imaginary Gauge Field and Non-Hermitian Topological Transition Emerging Through Attenuation-Gauge Duality in Conservative Systems

Authors: Haoran Nie, Chaoran Jiang, Xiangying Shen, Lei Xu

Abstract: Non-Hermitian physics traditionally relies on active gain--loss modulation or non-reciprocal couplings, which often introduce significant complexity, compromise stability, and offer very limited scalability in conservative systems. Here we propose an attenuation-gauge duality paradigm in which non-Hermitian topology emerges within fully passive, conservative systems through coupling to a structure… ▽ More Non-Hermitian physics traditionally relies on active gain--loss modulation or non-reciprocal couplings, which often introduce significant complexity, compromise stability, and offer very limited scalability in conservative systems. Here we propose an attenuation-gauge duality paradigm in which non-Hermitian topology emerges within fully passive, conservative systems through coupling to a structured reservoir. We derive that a spatially varying reservoir can establish an attenuation-gauge duality, where the spatial variation manifests as an emergent imaginary gauge field in the effective dynamics. It drives the boundary accumulation of skin modes while preserving energy conservation, analogous to Feshbach projection in quantum open systems. We validate this universal wave paradigm via macroscopic mechanical metamaterials, demonstrating that the direction of the skin effect can be reversed by tuning a single passive coupling parameter$t_\perp$, driven by a topological phase transition characterized by the spectral winding number. This framework also allows for a nonlinear extension, where amplitude-dependent coupling can induce intrinsic topological transitions. △ Less

Submitted 18 March, 2026; originally announced March 2026.

Comments: 6 pages, 3 figures

Orbital dimerization-induced first-order structural phase transition: a case study in La$_3$Ni$_2$O$_7$

Authors: Xingchen Shen, Wei Ku

Abstract: First-order structural phase transition is a common phenomenon in materials that qualitatively alters their physical properties. Yet, the abrupt first-order nature is usually unexplained by realistic computations, implying an omission of important physics in describing the electronic structure of the nearby stable phases. Using the recently discovered nickelate superconductors La$_3$Ni$_2$O$_7$ as… ▽ More First-order structural phase transition is a common phenomenon in materials that qualitatively alters their physical properties. Yet, the abrupt first-order nature is usually unexplained by realistic computations, implying an omission of important physics in describing the electronic structure of the nearby stable phases. Using the recently discovered nickelate superconductors La$_3$Ni$_2$O$_7$ as a prototypical example, we demonstrate that such first-order nature is typically beyond intra-atomic correlation considered in state-of-the-art material computations. Instead, a full many-body treatment of low-energy active orbitals reveals a generic inter-atomic "orbital dimerization" mechanism of first-order structural phase transition, corresponding to abrupt energy reduction upon a spin-singlet bond formation. Such an inter-atomic correlation qualitatively changes not only the essential lattice bonding but also the characteristics of low-energy electronic properties across the transition. This strong mechanism and the developed computational framework are generally applicable to a wide variety of ionic materials, to produce valuable insights into atomic and electronic structures essential for their physical properties and functionalities. △ Less

Submitted 13 March, 2026; originally announced March 2026.

Comments: 6 pages, 3 figures

Low-loss phase-change material based programmable mode converter for photonic computing

Authors: Xueyang Shen, Ruixuan Chu, Ding Xu, Yuan Gao, Wen Zhou, Wei Zhang

Abstract: Phase-change materials (PCMs)-based integrated photonic memory offers a viable pathway for the development of neuromorphic computing chip. The sizable optical contrast in the telecom band between amorphous and crystalline phases of PCM, in particular, Ge2Sb2Te5 (GST), is used for multilevel programming. However, the high extinction coefficient k of crystalline GST leads to high optical loss, posin… ▽ More Phase-change materials (PCMs)-based integrated photonic memory offers a viable pathway for the development of neuromorphic computing chip. The sizable optical contrast in the telecom band between amorphous and crystalline phases of PCM, in particular, Ge2Sb2Te5 (GST), is used for multilevel programming. However, the high extinction coefficient k of crystalline GST leads to high optical loss, posing a serious challenge for scaling up the device array for practical use. In this work, we focus on the atomic understanding and application of the so-called low-loss PCM, Sb2Se3, through multiscale simulations. First, we elucidate the bonding origin of the wavelength dependent optical properties of amorphous and crystalline Sb2Se3 via ab initio calculations. Given the suppressed k in the telecom band, we design a programable mode converter (PMC) waveguide device that utilizes only the contrast in refractive index n between amorphous and crystalline Sb2Se3 to encode multiple optical levels per waveguide device. The finite-difference time-domain simulations show that a single PMC device can achieve 5-bit programming precision (32 levels) via direct laser writing, and the photonic tensor core formed by the PMC array could possibly be scaled to 128*128. Finally, a thorough comparison between low-loss PCM and conventional PCM is provided. △ Less

Submitted 11 March, 2026; originally announced March 2026.

Comments: 24 pages, 7 figure, 2 tables

Superconductivity in non-centrosymmetric rhombohedral NbSe2

Authors: Zhengxian Li, Xiaoyu Shen, Kai Liu, Yating Sha, Tianyang Wang, Feng Liu, Qingchen Duan, Kenji Watanabe, Takashi Taniguchi, Peng Chen, Shiyong Wang, Ruidan Zhong, Dong Qian, Shengwei Jiang, Yufan Li, Noah F. Q. Yuan, Guorui Chen

Abstract: Crystal stacking offers a powerful yet underexplored route to engineer symmetry in layered superconductors. Here we report superconductivity in rhombohedral-stacked NbSe2 (3R-NbSe2), a non-centrosymmetric polytype in which global inversion symmetry is removed by stacking alone. Using comprehensive structural, transport, magnetic, and thermodynamic measurements, we establish superconductivity as a… ▽ More Crystal stacking offers a powerful yet underexplored route to engineer symmetry in layered superconductors. Here we report superconductivity in rhombohedral-stacked NbSe2 (3R-NbSe2), a non-centrosymmetric polytype in which global inversion symmetry is removed by stacking alone. Using comprehensive structural, transport, magnetic, and thermodynamic measurements, we establish superconductivity as a bulk property of the 3R phase and find that the in-plane upper critical field exceeds the Pauli paramagnetic limit, indicating the persistence of strong Ising-type spin-orbit coupling. Unlike the thickness-dependent superconductivity in centrosymmetric 2H-NbSe2, the superconducting transition temperature in 3R-NbSe2 shows little dependence on layer number but exhibits an unusually strong sensitivity to disorder. We further observe strongly enhanced nonlinear optical and electrical responses near the superconducting transition, consistent with stacking-induced inversion-symmetry breaking. Our results identify 3R-NbSe2 as a single-phase platform in which stacking engineering reshapes superconductivity and enables nonlinear transport phenomena in layered materials. △ Less

Submitted 23 January, 2026; originally announced January 2026.

A General Theory of Chiral Splitting of Magnons in Two-Dimensional Magnets

Authors: Yu Xie, Dinghui Wang, Chao Li, Xiaofan Shen, Junting Zhang

Abstract: Magnons in antiferromagnets exhibit two chiral modes, providing an intrinsic degree of freedom for magnon-based computing architectures and spintronic devices. Electrical control of chiral splitting is crucial for applications, but remains challenging. Here, we propose the concept of extrinsic chiral splitting, involving alternating and ferrimagnet-like types, which can be induced and controlled b… ▽ More Magnons in antiferromagnets exhibit two chiral modes, providing an intrinsic degree of freedom for magnon-based computing architectures and spintronic devices. Electrical control of chiral splitting is crucial for applications, but remains challenging. Here, we propose the concept of extrinsic chiral splitting, involving alternating and ferrimagnet-like types, which can be induced and controlled by an electric field. A symmetry framework based on 464 collinear spin layer groups is established to classify chiral splitting characteristics and electric field responses in two-dimensional magnets. We further elucidate how the spin layer group determines the type of alternating chiral splitting and the dominant lowest-order magnetic exchange interaction. We demonstrate electric-field control over the magnitude and sign of the chiral splitting, enabling control of the spin Seebeck and Nernst effects related to thermal spin transport. This work provides a general theory for electric field manipulation of magnon chirality, paving the way for low-power magnonic logic devices. △ Less

Submitted 21 January, 2026; originally announced January 2026.

Comments: 7 pages,4 figures

Near-atomic investigation on the elemental redistribution during co-precipitation of nano-sized kappa phase and B2 phase in an Al-alloyed lightweight steel

Authors: Bowen Zou, Yixu Wang, Xiao Shen, Philipp Krooss, Thomas Niendorf, Richard Dronskowski, Wenwen Song

Abstract: In the present study, correlative transmission Kikuchi diffraction transmission electron microscopy (TKD-TEM) measurements, atom probe tomography (APT), and density functional theory (DFT) calculations are used to reveal the elemental redistribution during co-precipitation of nanosized kappa and B2 phases in an FCC matrix of an Al alloyed Fe-10Al-7Mn-6Ni-1C (wt.%) steel. Upon ageing at 800 C for 1… ▽ More In the present study, correlative transmission Kikuchi diffraction transmission electron microscopy (TKD-TEM) measurements, atom probe tomography (APT), and density functional theory (DFT) calculations are used to reveal the elemental redistribution during co-precipitation of nanosized kappa and B2 phases in an FCC matrix of an Al alloyed Fe-10Al-7Mn-6Ni-1C (wt.%) steel. Upon ageing at 800 C for 15 min, two co-nanoprecipitation modes are observed: B2 forming together with kappa and B2 forming separately from kappa in the FCC matrix. APT reveals that the B2 precipitate next to kappa (referred to as B2I) is close to an FeAl type phase, while the isolated B2 precipitate (referred to as B2II) is close to a NiAl type phase. The kappa precipitates maintain a nearly constant Al content of approximately 18.4 at.% regardless of their precipitation position. DFT confirms that kappa may accommodate limited Ni substitution at Fe sites without losing structural stability, and that Fe Ni atomic exchange between kappa and B2 is thermodynamically favorable at 800 C. This exchange drives the B2 phase to evolve from a NiAl type towards an FeAl type, improving the stability of both phases during co-precipitation. These results provide understanding of kappa B2 interactions and offer insights for designing nanosized intermetallic strengthened microstructures in Al alloyed lightweight steels. △ Less

Submitted 20 January, 2026; originally announced January 2026.

Atomistic understanding of two-dimensional monatomic phase-change material for non-volatile optical applications

Authors: Hanyi Zhang, Xueqi Xing, Jiang-Jing Wang, Chao Nie, Yuxin Du, Junying Zhang, Xueyang Shen, Wen Zhou, Matthias Wuttig, Riccardo Mazzarello, Wei Zhang

Abstract: Elemental antimony (Sb) is a promising material for phase-change memory, neuromorphic computing and nanophotonic applications, because its compositional simplicity can prevent phase segregation upon extensive programming. Scaling down the film thickness is a necessary step to prolong the lifetime of amorphous Sb, but the optical properties of Sb are also significantly altered as the thickness is r… ▽ More Elemental antimony (Sb) is a promising material for phase-change memory, neuromorphic computing and nanophotonic applications, because its compositional simplicity can prevent phase segregation upon extensive programming. Scaling down the film thickness is a necessary step to prolong the lifetime of amorphous Sb, but the optical properties of Sb are also significantly altered as the thickness is reduced to a few nanometers, adding complexity to device optimization. In this work, we aim to provide atomistic understanding of the thickness-dependent optical responses in Sb thin films. As thickness decreases, both the extinction coefficient and optical contrast reduce in the near-infrared spectrum, consistent with previous optical measurements. Such thickness dependence gives rise to a bottom thickness limit of 2 nm in photonic applications, as predicted by coarse-grained device simulations. Further bonding analysis reveals a fundamentally different behavior for amorphous and crystalline Sb upon downscaling, resulting in the reduction of optical contrast. Thin film experiments are also carried out to validate our predictions. The thickness-dependent optical trend is fully demonstrated by our ellipsometric spectroscopy experiments, and the bottom thickness limit of 2 nm is confirmed by structural characterization experiments. Finally, we show that the greatly improved amorphous-phase stability of the 2 nm Sb thin film enables robust and reversible optical switching in a silicon-based waveguide device. △ Less

Submitted 11 December, 2025; originally announced December 2025.

Accelerated Discovery of Crystalline Materials with Record Ultralow Lattice Thermal Conductivity via a Universal Descriptor

Authors: Xingchen Shen, Jiongzhi Zheng, Michael Marek Koza, Petr Levinsky, Jiri Hejtmanek, Philippe Boullay, Bernard Raveau, Jinghui Wang, Jun Li, Pierric Lemoine, Christophe Candolfi, Emmanuel Guilmeau

Abstract: Ultralow glass-like lattice thermal conductivity in crystalline materials is crucial for enhancing energy conversion efficiency in thermoelectrics and thermal insulators. We introduce a universal descriptor for thermal conductivity that relies only on the atomic number in the primitive cell and the sound velocity, enabling fast and scalable materials screening. Coupled with high-throughput workflo… ▽ More Ultralow glass-like lattice thermal conductivity in crystalline materials is crucial for enhancing energy conversion efficiency in thermoelectrics and thermal insulators. We introduce a universal descriptor for thermal conductivity that relies only on the atomic number in the primitive cell and the sound velocity, enabling fast and scalable materials screening. Coupled with high-throughput workflows and universal machine learning potentials, we identify the candidate materials with ultralow thermal conductivity from over 25, 000 materials. We further validate this approach by experimentally confirming record-low thermal conductivity values of 0.15-0.16 W/m/K from 170 to 400 K in the halide metal CsAg2I3. Combining inelastic neutron scattering with first-principles calculations, we attribute the ultralow thermal conductivity to the intrinsically small sound velocity, strong anharmonicity, and structural complexity. Our work illustrates how a universal descriptor, combined with high-throughput screening, machine-learning potential and experiment, enables the efficient discovery of materials with ultralow thermal conductivity. △ Less

Submitted 27 November, 2025; v1 submitted 26 November, 2025; originally announced November 2025.

Ligand Engineering for Precise Control of Ultrathin CsPbI3 Nanoplatelet Superlattices for Efficient Light-Emitting Diodes

Authors: Jongbeom Kim, Woo Hyeon Jeong, Junzhi Ye, Allison Nicole Arber, Vikram, Donghan Kim, Yi-Teng Huang, Yixin Wang, Dongeun Kim, Dongryeol Lee, Chia-Yu Chang, Xinyu Shen, Sung Yong Bae, Ashish Gaurav, Akshay Rao, Henry J. Snaith, M. Saiful Islam, Bo Ram Lee, Myoung Hoon Song, Robert L. Z. Hoye

Abstract: Strongly-confined perovskite nanoplatelets (PeNPLs) offer opportunities not found in conventional isotropic nanocubes, especially in producing linearly polarized light, as well as enhancing outcoupling through control over the transition dipole moment. But this requires ultrathin nanoplatelets with three or fewer monolayers of PbI6 octahedra across the thickness, which are challenging to synthesis… ▽ More Strongly-confined perovskite nanoplatelets (PeNPLs) offer opportunities not found in conventional isotropic nanocubes, especially in producing linearly polarized light, as well as enhancing outcoupling through control over the transition dipole moment. But this requires ultrathin nanoplatelets with three or fewer monolayers of PbI6 octahedra across the thickness, which are challenging to synthesise uniformly, and their luminescence is strongly affected by surface defects. Together, these limit the performance of ultrathin PeNPLs in light-emitting diodes (LEDs). Here, we address these challenges with an ancillary ligand engineering strategy. We demonstrate that ligands with phosphoryl functional groups strongly bind to the perovskite surface, while having an organic backbone that is not sterically bulky ensures high ligand density. By modulating nucleation and growth, these ancillary ligands lead to monodisperse PeNPLs that stack more uniformly when self-assembled into superlattices, with suppressed agglomeration. As a result, from edge-up PeNPL superlattices, we achieve enhanced degree of polarization, while from face-down PeNPL superlattices, we achieve enhanced outcoupling that results in LEDs with 13.1% external quantum efficiency, the highest reported for ultrathin PeNPL LEDs. This work establishes ancillary ligand-induced synthesis as a decisive route to achieve uniform nanoplatelets with robust orientation control, enabling full utilization of the multifunctionality of anisotropic PeNPLs. △ Less

Submitted 23 January, 2026; v1 submitted 14 November, 2025; originally announced November 2025.

Comments: 25 pages, 4 figures, 1 table

Probing the atomic dynamics of ultrafast melting with femtosecond electron diffraction

Authors: M. Z. Mo, M. B. Maigler, T. Held, B. K. Ofori-Okai, A. Bergermann, Z. Chen, R. K. Li, X. Shen, K. Sokolowski-Tinten, R. Redmer, X. J. Wang, J. Schein, D. O. Gericke, B. Rethfeld, S. H. Glenzer

Abstract: Melting is an everyday phase transition that is determined by thermodynamic parameters like temperature and pressure. In contrast, ultrafast melting is governed by the microscopic response to a rapid energy input and, thus, can reveal the strength and dynamics of atomic bonds as well as the energy flow rate to the lattice. Accurately describing these processes remains challenging and requires deta… ▽ More Melting is an everyday phase transition that is determined by thermodynamic parameters like temperature and pressure. In contrast, ultrafast melting is governed by the microscopic response to a rapid energy input and, thus, can reveal the strength and dynamics of atomic bonds as well as the energy flow rate to the lattice. Accurately describing these processes remains challenging and requires detailed insights into transient states encountered. Here, we present data from femtosecond electron diffraction measurements that capture the structural evolution of copper during the ultrafast solid to liquid phase transformations. At absorbed energy densities 2 to 4 times the melting threshold, melting begins at the surface slightly below the nominal melting point followed by rapid homogeneous melting throughout the volume. Molecular dynamics simulations reproduce these observations and reveal a weak electron lattice energy transfer rate for the given experimental conditions. Both simulations and experiments show no indications of rapid lattice collapse when its temperature surpasses proposed limits of superheating, providing evidence that inherent dynamics limits the speed of disordering in ultrafast melting of metals. △ Less

Submitted 7 November, 2025; originally announced November 2025.

Comments: 36 pages, 5 figures, 2 extended data figures

Ambient-Stable Transfer-Free Graphdiyne Wafers with Superhigh Hole Mobility at Room Temperature

Authors: Beining Ma, Jianyuan Qi, Xinghai Shen

Abstract: Graphdiyne (GDY) is recognized as a compelling candidate for the fabrication of next-generation high-speed low-energy electronic devices due to its inherent p-type semiconductor characteristics. However, the development of GDY for applications in field-effect transistors (FETs), complementary metal-oxide-semiconductor (CMOS), and logic devices remains constrained by the relatively low carrier mobi… ▽ More Graphdiyne (GDY) is recognized as a compelling candidate for the fabrication of next-generation high-speed low-energy electronic devices due to its inherent p-type semiconductor characteristics. However, the development of GDY for applications in field-effect transistors (FETs), complementary metal-oxide-semiconductor (CMOS), and logic devices remains constrained by the relatively low carrier mobility reported in current experimental studies. Herein, the synthesis of layer-controlled hydrogen-substituted graphdiyne (HsGDY) films directly on silicon substrates under a supercritical CO2 atmosphere is reported, along with the fabrication of these films into HsGDY-based FETs. The transfer-free growth strategy eliminates performance degradation caused by post-synthesis transfer processes. The resulting HsGDY FETs exhibit a remarkable hole mobility of up to 3800 cm2 V-1 s-1 at room-temperature, which is an order of magnitude higher than that of most p-type semiconductors. The synthesis of transfer-free HsGDY wafers provides a new strategy for resolving the carrier mobility mismatch between p-channel and n-channel two-dimensional metal-oxide-semiconductor devices. △ Less

Submitted 10 October, 2025; originally announced October 2025.

A Room-Temperature Ferrotoroidic Material Exhibiting Magnetic Semiconductor Properties with Superhigh Hole Mobility

Authors: Jianyuan Qi, Shijie Xiong, Beining Ma, Xinghai Shen

Abstract: The design and fabrication of room-temperature ferrotoroidic materials and magnetic semiconductors are recognized worldwide as a great challenge, and of both theoretical and practical importance in the field of condensed matter physics and information storage. Reported herein are ferrotoroidic crystal powder and film formed by supramolecular self-assembly based on uranyl and cyclodextrin, with the… ▽ More The design and fabrication of room-temperature ferrotoroidic materials and magnetic semiconductors are recognized worldwide as a great challenge, and of both theoretical and practical importance in the field of condensed matter physics and information storage. Reported herein are ferrotoroidic crystal powder and film formed by supramolecular self-assembly based on uranyl and cyclodextrin, with the Curie temperature above room temperature. Experimental measurements and calculations demonstrate spontaneous vortex-like alignment of magnetic moments and furthermore a macroscopic long-range arrangement in the crystal, which breaks simultaneously space-inversion and time-reversal symmetries, exhibiting strong superexchange, spin-orbit coupling as well as anomalous Hall effect (AHE). The electrical measurements show the film with a superhigh carrier mobility of 3200 cm2*V-1*s-1 and a Hall resistivity as high as 0.32 mV*A-1*cm at room temperature. This work is expected to pave greatly the applied research on new-generation magnetoresistive random access memory (MRAM), especially as flexible material. △ Less

Submitted 6 February, 2026; v1 submitted 10 October, 2025; originally announced October 2025.

Joint commensuration in moiré charge-order superlattices drives shear topological defects

Authors: Kyoung Hun Oh, Yifan Su, Honglie Ning, B. Q. Lv, Alfred Zong, Dong Wu, Qiaomei Liu, Gyeongbo Kang, Hyeongi Choi, Hyun-Woo J. Kim, Seunghyeok Ha, Jaehwon Kim, Suchismita Sarker, Jacob P. C. Ruff, Xiaozhe Shen, Duan Luo, Stephen Weathersby, Patrick Kramer, Xinxin Cheng, Dongsung Choi, Doron Azoury, Masataka Mogi, B. J. Kim, N. L. Wang, Hoyoung Jang , et al. (1 additional authors not shown)

Abstract: The advent of two-dimensional moiré systems has revolutionized the exploration of phenomena arising from strong correlations and nontrivial band topology. Recently, a moiré superstructure formed by two coexisting charge density wave (CDW) orders with slightly mismatched wavevectors has been realized. These incommensurate CDWs can collectively exhibit commensurability, resulting in the jointly comm… ▽ More The advent of two-dimensional moiré systems has revolutionized the exploration of phenomena arising from strong correlations and nontrivial band topology. Recently, a moiré superstructure formed by two coexisting charge density wave (CDW) orders with slightly mismatched wavevectors has been realized. These incommensurate CDWs can collectively exhibit commensurability, resulting in the jointly commensurate CDW (JC-CDW). This JC-CDW hosts phenomena including electronic anisotropy and phase-modulated hysteresis, and holds promise for non-volatile optoelectronic memory devices. Realizing such functionality requires understanding how the spatial periodicity, coherence, and amplitude of this order evolve under perturbations. Here, we address these questions using time- and momentum-resolved techniques to probe light-induced dynamics in EuTe$_4$. Our time-resolved diffraction results show that under intense photoexcitation, the JC-CDW wavevector and coherence length remain locked along the CDW direction, indicating preserved moiré periodicity while the moiré potential depth is suppressed. This robustness governs the configuration of the photoexcited JC-CDW and leads to the formation of previously underexplored shear-type topological defects. Furthermore, we developed an approach to simultaneously track the temporal evolution of the amplitude and phase of a CDW by following two diffraction peaks corresponding to one order, with findings verified by time-resolved photoemission and electron diffraction. This methodology enables reconstruction of the momentum- and time-resolved evolution of the JC-CDW and direct visualization of shear-type topological defect formation. These findings not only highlight the unique robustness of JC-CDWs out of equilibrium, but also establish a platform for optical moiré engineering and manipulation of quantum materials through topological defect control. △ Less

Submitted 19 September, 2025; originally announced September 2025.

Comments: 24 pages, 4 figures

Three-Dimensional Continuous Multi-Walled Carbon Nanotubes Network-Toughened Diamond Composite

Authors: Jiawei Zhang, Keliang Qiu, Tengfei Xu, Xi Shen, Junkai Li, Fengjiao Li, Richeng Yu, Huiyang Gou, Duanwei He, Liping Wang, Zhongzhou Wang, Guodong Li, Yusheng Zhao, Ke Chen, Fang Hong, Ruifeng Zhang, Xiaohui Yu

Abstract: Enhancing the fracture toughness of diamond while preserving its hardness is a significant challenge. Traditional toughening strategies have primarily focused on modulating the internal microstructural units of diamonds, including adjustments to stacking sequences, faults, nanotwinning, and the incorporation of amorphous phases, collectively referred to as intrinsic toughening. Here, we introduce… ▽ More Enhancing the fracture toughness of diamond while preserving its hardness is a significant challenge. Traditional toughening strategies have primarily focused on modulating the internal microstructural units of diamonds, including adjustments to stacking sequences, faults, nanotwinning, and the incorporation of amorphous phases, collectively referred to as intrinsic toughening. Here, we introduce an extrinsic toughening strategy to develop an unparalleled tough diamond composite with complex and abundant sp2-sp3 bonding interfaces, by incorporating highly dispersed multi-walled carbon nanotubes (MWCNTs) into the gaps of diamond grains to create a three-dimensional (3D) continuous MWCTNs network-toughen heterogeneous structure. The resultant composite exhibits a hardness of approximately 91.6 GPa and a fracture toughness of roughly 36.4 MPa.m1/2, which is six times higher than that of synthetic diamond and even surpasses that of tungsten alloys, surpassing the benefits achievable through intrinsic toughening alone. The remarkable toughening behavior can be attributed to the formation of numerous mixed sp2-sp3 bonding interactions at the 3D continuous network MWCNTs/diamond interfaces, which facilitate efficient energy dissipation. Our 3D continuous network heterogeneous structure design provides an effective approach for enhancing the fracture toughness of superhard materials, offering a new paradigm for the advanced composite ceramics. △ Less

Submitted 25 August, 2025; originally announced August 2025.

Quasiparticle interaction originating from Bogoliubov Fermi Surfaces under pressure in 18%-S substituted FeSe studied via NMR

Authors: Zhongyu Yu, Xiaoling Shen, Koya Nakamura, Kazuya Inomata, Kohei Matsuura, Yuta Mizukami, Shigeru Kasahara, Yuji Matsuda, Takasada Shibauchi, Yoshiya Uwatoko, Naoki Fujiwara

Abstract: S-substituted FeSe superconductors in the tetragonal phase display several unique features among iron-based superconductors, particularly the presence of zero-energy excitations in the superconducting (SC) state. The recent concept of Bogoliubov Fermi Surfaces (BFSs), a theoretical model describing ultranodal states, has attracted considerable interest. Nuclear magnetic resonance (NMR) studies on… ▽ More S-substituted FeSe superconductors in the tetragonal phase display several unique features among iron-based superconductors, particularly the presence of zero-energy excitations in the superconducting (SC) state. The recent concept of Bogoliubov Fermi Surfaces (BFSs), a theoretical model describing ultranodal states, has attracted considerable interest. Nuclear magnetic resonance (NMR) studies on FeSe$_{1-x}$S$_x$ (x=0.18) have revealed an anomalous low-energy spin fluctuations deep in the SC state. The low-energy spin fluctuations are enhanced with decreasing temperature, supporting strong Bogoliubov quasiparticle interactions associated with BFSs. Here, we further investigate these correlation effects through $^{77}$Se-NMR measurements of FeSe$_{1-x}$S$_x$ (x=0.18) under pressures up to 2.0 GPa and temperatures down to ~100 mK. The results demonstrate that the anomalous enhancement is suppressed but persists under pressure, implying that quasiparticle interactions become weak by applying pressure. Furthermore, spin fluctuations in the normal state exhibit different temperature dependence from those deep in the SC state, suggesting that the nesting properties of normal electrons differ from those of Bogoliubov quasiparticles. These findings are consistent with the theoretical model of BFSs with C$_2$ symmetry and strengthen evidence for Bogoliubov quasiparticle interactions, providing insights into the unconventional pairing state of this system. △ Less

Submitted 17 August, 2025; v1 submitted 27 July, 2025; originally announced July 2025.

Journal ref: Scientific Reports 15 (2025) 29824

Non-Hermitian topological electric circuits with projective symmetry

Authors: Wenjie Zhang, Yuting Yang, Xiaopeng Shen, Liwei Shi, Zhi Hong Hang

Abstract: Non-Hermitian topological insulators have attracted considerable attention due to their distinctive energy band characteristics and promising applications. Here, we systematically investigate non-Hermitian Möbius insulators and graphene-like topological semimetals from the projected symmetry and realize their corresponding topological phenomena in an electric circuit-based framework. By introducin… ▽ More Non-Hermitian topological insulators have attracted considerable attention due to their distinctive energy band characteristics and promising applications. Here, we systematically investigate non-Hermitian Möbius insulators and graphene-like topological semimetals from the projected symmetry and realize their corresponding topological phenomena in an electric circuit-based framework. By introducing a nonreciprocal hopping term consisting of negative impedance converters into a two-dimensional electric circuit, we establish an experimental platform that effectively demonstrates that introducing non-Hermitian terms significantly enhances the energy localization of topological edge states, which originate from the non-Hermitian skin effect. Furthermore, a thorough comparison of experimental measurements with numerical simulations validates the robustness and reliability of our electric circuit structure. This work not only reveals the physical properties of non-Hermitian topological materials but also provides valuable theoretical and experimental guidance for the implementation of topological circuits and the design of radiofrequency devices in the future. △ Less

Submitted 17 June, 2025; originally announced June 2025.

Comments: 12 pages,7 figures

Ion Track Formation via Electric-Field-Enhanced Energy Deposition

Authors: Zikang Ge, Jinhao Hu, Shengyuan Peng, Wei Kang, Xiaofei Shen, Yanbo Xie, Jianming Xue

Abstract: High-energy ion irradiation deposits extreme energy in a narrow range (1-10 nm) along ion trajectories in solid through electronic energy loss, producing unique irradiation effects such as ion tracks. However, intrinsic velocity effects impose an upper limit on electronic energy loss that cannot be overcome by adjusting irradiation parameters. We introduce a method using electric fields during irr… ▽ More High-energy ion irradiation deposits extreme energy in a narrow range (1-10 nm) along ion trajectories in solid through electronic energy loss, producing unique irradiation effects such as ion tracks. However, intrinsic velocity effects impose an upper limit on electronic energy loss that cannot be overcome by adjusting irradiation parameters. We introduce a method using electric fields during irradiation to enhance nanoscale energy deposition by accelerating ion-excited electrons within sub-picosecond timescales.Our extended thermal spike model quantitatively describes this enhancement and predicts a significant reduction in the electronic energy loss required for ion track formation in amorphous SiO2, which is in excellent agreement with experimental observations. This work provides a new approach to control energy deposition during irradiation and boosts the wide application of ion tracks in material modification and nanoengineering to much broader extents. △ Less

Submitted 8 December, 2025; v1 submitted 15 June, 2025; originally announced June 2025.

Enhanced Stability and Linearly Polarized Emission from CsPbI$_3$ Perovskite Nanoplatelets through A-site Cation Engineering

Authors: Woo Hyeon Jeong, Junzhi Ye, Jongbeom Kim, Rui Xu, Xinyu Shen, Chia-Yu Chang, Eilidh L. Quinn, Myoung Hoon Song, Peter Nellist, Henry J. Snaith, Yunwei Zhang, Bo Ram Lee, Robert L. Z. Hoye

Abstract: The anisotropy of perovskite nanoplatelets (PeNPLs) opens up many opportunities in optoelectronics, including enabling the emission of linearly polarized light. But the limited stability of PeNPLs is a pressing challenge, especially for red-emitting CsPbI$_3$. Herein, we address this limitation by alloying FA into the perovskite cuboctahedral site. Unlike Cs/FA alloying in bulk thin films or nonco… ▽ More The anisotropy of perovskite nanoplatelets (PeNPLs) opens up many opportunities in optoelectronics, including enabling the emission of linearly polarized light. But the limited stability of PeNPLs is a pressing challenge, especially for red-emitting CsPbI$_3$. Herein, we address this limitation by alloying FA into the perovskite cuboctahedral site. Unlike Cs/FA alloying in bulk thin films or nonconfined nanocubes, FA incorporation in nanoplatelets requires meticulous control over the reaction conditions, given that nanoplatelets are obtained in kinetically-driven growth regimes instead of thermodynamically-driven conditions. Through in-situ photoluminescence (PL) measurements, we find that excess FA leads to uncontrolled growth, where phase-impurities and nanoplatelets of multiple thicknesses co-exist. Restricting the FA content to up to 25% Cs substitution enables monodisperse PeNPLs, and increases the PL quantum yield (from 53% to 61%), exciton lifetime (from 18 ns to 27 ns), and stability in ambient air (from ~2 days to >7 days) compared to CsPbI$_3$. This arises due to hydrogen bonding between FA and the oleate and oleylammonium ligands, anchoring them to the surface to improve optoelectronic properties and stability. The reduction in non-radiative recombination, improvement in the nanoplatelet aspect ratio, and higher ligand density lead to FA-containing PeNPLs more effectively forming edge-up superlattices, enhancing the PL degree of linear polarization from 5.1% (CsPbI$_3$) to 9.4% (Cs$_{0.75}$FA$_{0.25}$PbI$_3$). These fundamental insights show how the stability limitations of PeNPLs could be addressed, and these materials grown more precisely to improve their performance as polarized light emitters, critical for utilizing them in next-generation display, bioimaging and communications applications. △ Less

Submitted 28 May, 2025; originally announced May 2025.

Comments: 19 pages, 5 figures

Strong Crystalline Thermal Insulation Induced by Extended Antibonding States

Authors: Ruihuan Cheng, Chen Wang, Niuchang Ouyang, Xingchen Shen, Yue Chen

Abstract: Crystalline solids with extreme insulation often exhibit a plateau or even an upward-sloping tail in thermal conductivity above room temperature. Herein, we synthesized a crystalline material AgTl$_2$I$_3$ with an exceptionally low thermal conductivity of 0.21 $\rm W m^{-1} K^{-1}$ at 300 K, which continues to decrease to 0.17 $\rm W m^{-1} K^{-1}$ at 523 K. We adopted an integrated experimental a… ▽ More Crystalline solids with extreme insulation often exhibit a plateau or even an upward-sloping tail in thermal conductivity above room temperature. Herein, we synthesized a crystalline material AgTl$_2$I$_3$ with an exceptionally low thermal conductivity of 0.21 $\rm W m^{-1} K^{-1}$ at 300 K, which continues to decrease to 0.17 $\rm W m^{-1} K^{-1}$ at 523 K. We adopted an integrated experimental and theoretical approach to reveal the lattice dynamics and thermal transport properties of AgTl$_2$I$_3$. Our results suggest that the Ag-I polyhedron enables extended antibonding states to weaken the chemical bonding, fostering strong lattice anharmonicity driven by the rattling vibrations of Ag atoms and causing lattice softening. Experimental measurements further corroborate the large atomic thermal motions and low sound velocity. These features impede particle-like phonon propagation, and significantly diminish the contribution of wave-like phonon tunneling. This work highlights a strategy for designing thermal insulating materials by leveraging crystal structure and chemical bonding, providing a pathway for advancing the development of thermal insulators. △ Less

Submitted 13 May, 2025; v1 submitted 11 May, 2025; originally announced May 2025.

Diffuson-Dominated Thermal Transport Crossover from Ordered to Liquid-like Cu$_3$BiS$_3$:The Negligible Role of Ion Hopping

Authors: Jincheng Yue, Jiongzhi Zheng, Xingchen Shen, Krishnendu Maji, Chun-Chuen Yang, Shuyao Lin, Pierric Lemoine, Emmanuel Guilmeau, Yanhui Liu, Tian Cui

Abstract: Fundamentally understanding lattice dynamics and thermal transport behavior in liquid-like, partially occupied compounds remains a long-standing challenge in condensed matter physics. Here, we investigate the microscopic mechanisms underlying the ultralow thermal conductivity in ordered/liquid-like Cu$_3$BiS$_3$ by combining experimental methods with first-principles calculations. We first experim… ▽ More Fundamentally understanding lattice dynamics and thermal transport behavior in liquid-like, partially occupied compounds remains a long-standing challenge in condensed matter physics. Here, we investigate the microscopic mechanisms underlying the ultralow thermal conductivity in ordered/liquid-like Cu$_3$BiS$_3$ by combining experimental methods with first-principles calculations. We first experimentally synthesize and characterize the ordered structure and liquid-like, partially Cu-atom occupied Cu$_3$BiS$_3$ structure with increasing temperature. We then combine self-consistent phonon calculations, including bubble-diagram corrections, with the Wigner transport equation, considering both phonon propagation and diffuson contributions, to evaluate the anharmonic lattice dynamics and thermal conductivity in phase-change Cu$_3$BiS$_3$. Our theoretical model predicts an ultralow thermal conductivity of 0.34 W/m/K at 400 K, dominated by diffuson contributions, which accurately reproduces and explains the experimental data. Importantly, the machine-learning-based molecular dynamics (MD) simulations not only reproduced the partially Cu-atom occupied Cu$_3$BiS$_3$ structure with the space group $\mathrm{P2_12_12_1}$ but also successfully replicated the thermal conductivity obtained from experiments and Wigner transport calculations. This observation highlights the negligible impact of ionic mobility arising from partially occupied Cu sites on the thermal conductivity in diffuson-dominated thermal transport compounds. Our work not only sheds light on the minimal impact of ionic mobility on ultralow thermal conductivity in phase-change materials but also demonstrates that the Wigner transport equation accurately describes thermal transport behavior in partially occupied phases with diffuson-dominant thermal transport. △ Less

Submitted 10 August, 2025; v1 submitted 4 May, 2025; originally announced May 2025.

Amorphous phase-change memory alloy with no resistance drift

Authors: Xiaozhe Wang, Ruobing Wang, Suyang Sun, Ding Xu, Chao Nie, Zhou Zhou, Chenyu Wen, Junying Zhang, Ruixuan Chu, Xueyang Shen, Wen Zhou, Zhitang Song, Jiang-Jing Wang, En Ma, Wei Zhang

Abstract: Spontaneous structural relaxation is intrinsic to glassy materials due to their metastable nature. For phase-change materials (PCMs), the resultant temporal change in electrical resistance seriously hamper in-memory computing (IMC) applications. Here, we report an ab-initio-calculation-informed design of amorphous PCM composed of robust "molecule-like" motifs with minimal Peierls distortion, depri… ▽ More Spontaneous structural relaxation is intrinsic to glassy materials due to their metastable nature. For phase-change materials (PCMs), the resultant temporal change in electrical resistance seriously hamper in-memory computing (IMC) applications. Here, we report an ab-initio-calculation-informed design of amorphous PCM composed of robust "molecule-like" motifs with minimal Peierls distortion, depriving the amorphous alloy of structural ingredients that would gradually evolve upon aging to entail resistance drift. We demonstrate amorphous CrTe3 thin films that display practically no resistance drift at any working temperature from -200 to 165 degree C. We achieve multilevel programming of CrTe3 through both step-wise crystallization and step-wise amorphization using a hybrid opto-electronic device at various temperatures. Moreover, the application potential of CrTe3 in neuromorphic computing is testified by its incorporation in a vehicle with automatic path-tracking function. Our work opens a new avenue to achieving IMC-requisite properties via judicious design of the composition and atomic-level structure of disordered PCM alloys. △ Less

Submitted 15 September, 2025; v1 submitted 27 March, 2025; originally announced March 2025.

Comments: 23 pages, 10 figures

Role of seed layer in growing atomically flat TiTe2/Sb2Te3 heterostructure thin films at the wafer scale

Authors: Chao Nie, Xueyang Shen, Junying Zhang, Chenyu Wen, Yuxin Du, Yazhi Xu, Riccardo Mazzarello, En Ma, Xiaozhe Wang, Wei Zhang, Jiang-Jing Wang

Abstract: Chalcogenide phase-change materials (PCMs) are a leading candidate for advanced memory and computing applications. Epitaxial-like growth of chalcogenide thin films at the wafer scale is important to guarantee the homogeneity of the thin film but is challenging with magnetron sputtering, particularly for the growth of phase-change heterostructure (PCH), such as TiTe2/Sb2Te3. In this work, we report… ▽ More Chalcogenide phase-change materials (PCMs) are a leading candidate for advanced memory and computing applications. Epitaxial-like growth of chalcogenide thin films at the wafer scale is important to guarantee the homogeneity of the thin film but is challenging with magnetron sputtering, particularly for the growth of phase-change heterostructure (PCH), such as TiTe2/Sb2Te3. In this work, we report how to obtain highly textured TiTe2/Sb2Te3 heterostructure thin films with atomically sharp interfaces on standard silicon substrates. By combining atomic-scale characterization and ab initio simulations, we reveal the critical role of the Sb2Te3 seed layer in forming a continuous Si-Sb-Te mixed transition layer, which provides a wafer-scale flat surface for the subsequent epitaxial-like growth of TiTe2/Sb2Te3 thin film. By gradually reducing the thickness of the seed layer, we determine its critical limit to be ~2 nm. Non-negligible in-plane tensile strain was observed in the TiTe2 slabs due to the lattice mismatch with the adjacent Sb2Te3 ones, suggesting that the chemical interaction across the structural gaps in the heterostructure is stronger than a pure van der Waals interaction. Finally, we outline the potential choices of chalcogenides for atomically flat seed layers on standard silicon substrates, which can be used for wafer-scale synthesis of other high-quality PCM or PCH thin films. △ Less

Submitted 6 May, 2025; v1 submitted 1 March, 2025; originally announced March 2025.

Comments: 17 pages, 8 figures

Orbital-excitation-dominated magnetization dissipation and quantum oscillation of Gilbert damping in Fe films

Authors: Yue Chen, Haoran Chen, Xi Shen, Weizhao Chen, Yi Liu, Yizheng Wu, Zhe Yuan

Abstract: Using first-principles electronic structure calculation, we demonstrate the spin dissipation process in bulk Fe by orbital excitations within the energy bands of pure spin character. The variation of orbitals in the intraband transitions provides an efficient channel to convert spin to orbital angular momentum with spin-orbit interaction. This mechanism dominates the Gilbert damping of Fe below ro… ▽ More Using first-principles electronic structure calculation, we demonstrate the spin dissipation process in bulk Fe by orbital excitations within the energy bands of pure spin character. The variation of orbitals in the intraband transitions provides an efficient channel to convert spin to orbital angular momentum with spin-orbit interaction. This mechanism dominates the Gilbert damping of Fe below room temperature. The theoretical prediction is confirmed by the ferromagnetic resonance experiment performed on single-crystal Fe(001) films. A significant thickness-dependent damping oscillation is found at low temperature induced by the quantum well states of the corresponding energy bands. Our findings not only explain the microscopic nature of the recently reported ultralow damping of Fe-based alloys, but also help for the understanding of the transport and dissipation process of orbital currents. △ Less

Submitted 27 February, 2025; originally announced February 2025.

Journal ref: Physical Review Letters 134, 136701 (2025)

Charge-density-wave quantum critical point under pressure in 2$H$-TaSe$_2$

Authors: Yuliia Tymoshenko, Amir-Abbas Haghighirad, Rolf Heid, Tom Lacmann, Alsu Ivashko, Adrian Merritt, Xingchen Shen, Michael Merz, Gaston Garbarino, Luigi Paolasini, Alexei Bosak, Florian K. Diekmann, Kai Rossnagel, Stephan Rosenkranz, Ayman H. Said, Frank Weber

Abstract: Suppressing of an ordered state that competes with superconductivity is one route to enhance superconducting transition temperatures. Whereas the effect of suppressing magnetic states is still not fully understood, materials featuring charge-density waves and superconductivity offer a clearer scenario as both states can be associated with electron-phonon coupling. Metallic transition-metal dichalc… ▽ More Suppressing of an ordered state that competes with superconductivity is one route to enhance superconducting transition temperatures. Whereas the effect of suppressing magnetic states is still not fully understood, materials featuring charge-density waves and superconductivity offer a clearer scenario as both states can be associated with electron-phonon coupling. Metallic transition-metal dichalcogenides are prime examples for such intertwined electron-phonon-driven phases, yet, various compounds do not show the expected interrelation or feature additional mechanisms which makes an unambiguous interpretation difficult. Here, we report high-pressure X-ray diffraction and inelastic X-ray scattering measurements of the prototypical transition-metal dichalcogenide 2$H$-TaSe$_2$ and determine the evolution of the charge-density-wave state and its lattice dynamics up to and beyond its suppression at the critical pressure $p_c = 19.9(1)\,\rm{GPa}$ and at low temperatures. The high quality of our data allows the full refinement of the commensurate charge-density-wave superstructure at low pressure and we find the quantum critical point of the charge-density-wave to be in close vicinity to the reported maximum superconducting transition temperature $T_{sc} = 8.2\,\rm{K}$. $Ab-initio$ calculations corroborate that 2$H$-TaSe$_2$ is a reference example of order-suppressed enhanced superconductivity and can serve as a textbook case to investigate superconductivity near a charge-density-wave quantum critical point. △ Less

Submitted 22 January, 2025; v1 submitted 21 January, 2025; originally announced January 2025.

Journal ref: Communications Physics 2025 Vol. 8 Issue 1 Pages 352

Exact Parent Hamiltonians for All Landau Level States in a Half-flux Lattice

Authors: Xin Shen, Guangyue Ji, Jinjie Zhang, David E. Palomino, Bruno Mera, Tomoki Ozawa, Jie Wang

Abstract: Realizing topological flat bands with tailored single-particle Hilbert spaces is a critical step toward exploring many-body phases, such as those featuring anyonic excitations. One prominent example is the Kapit-Mueller model, a variant of the Harper-Hofstadter model that stabilizes lattice analogs of the lowest Landau level states. The Kapit-Mueller model is constructed based on the Poisson summa… ▽ More Realizing topological flat bands with tailored single-particle Hilbert spaces is a critical step toward exploring many-body phases, such as those featuring anyonic excitations. One prominent example is the Kapit-Mueller model, a variant of the Harper-Hofstadter model that stabilizes lattice analogs of the lowest Landau level states. The Kapit-Mueller model is constructed based on the Poisson summation rule, an exact lattice sum rule for coherent states. In this work, we consider higher Landau-level generalizations of the Poisson summation rule, from which we derive families of parent Hamiltonians on a half-flux lattice which have exact flat bands whose flatband wavefunctions are lattice version of higher Landau level states. Focusing on generic Bravais lattices with only translation and inversion symmetries, we discuss how these symmetries enforced gaplessness and singular points for odd Landau level series, and how to achieve fully gapped parent Hamiltonians by mixing even and odd series. Our model points to a large class of tight-binding models with suitable energetic and quantum geometries that are potentially useful for realizing non-Abelian fractionalized states when interactions are included. The model exhibits fast decay hopping amplitudes, making it potentially realizable with neutral atoms in optical lattices. △ Less

Submitted 16 January, 2025; originally announced January 2025.

Mixed anion control of enhanced negative thermal expansion in the oxysulfide of PbTiO3

Authors: Zhao Pan, Zhengli Liang, Xiao Wang, Yue-Wen Fang, Xubin Ye, Zhehong Liu, Takumi Nishikubo, Yuki Sakai, Xi Shen, Qiumin Liu, Shogo Kawaguchi, Fei Zhan, Longlong Fan, Yong-Yang Wang, Chen-Yan Ma, Xingxing Jiang, Zheshuai Lin, Richeng Yu, Xianran Xing, Masaki Azuma, Youwen Long

Abstract: The rare physical property of negative thermal expansion (NTE) is intriguing because materials with large NTE over a wide temperature range can serve as high-performance thermal expansion compensators. However, applications of NTE are hindered by the fact that most of the available NTE materials show small magnitudes of NTE, and/or NTE occurs only in a narrow temperature range. Herein, for the fir… ▽ More The rare physical property of negative thermal expansion (NTE) is intriguing because materials with large NTE over a wide temperature range can serve as high-performance thermal expansion compensators. However, applications of NTE are hindered by the fact that most of the available NTE materials show small magnitudes of NTE, and/or NTE occurs only in a narrow temperature range. Herein, for the first time, we investigated the effect of anion substitution instead of general Pb/Ti-site substitutions on the thermal expansion properties of a typical ferroelectric NTE material, PbTiO3. Intriguingly, the substitution of S for O in PbTiO3 further increases the tetragonality of PbTiO3. Consequently, an unusually enhanced NTE with an average volumetric coefficient of thermal expansion $\barα_V$ = -2.50 $\times$ 10$^{-5}$/K was achieved over a wide temperature range (300 -- 790 K), which is contrasted to that of pristine PbTiO3 ($\barα_V$ = -1.99 $\times$ 10$^{-5}$/K RT -- 763 K). The intensified NTE is attributed to the enhanced hybridization between Pb/Ti and O/S atoms by the substitution of S, as evidenced by our theoretical investigations. We therefore demonstrate a new technique for introducing mixed anions to achieve large NTE over a wide temperature range in PbTiO3-based ferroelectrics. △ Less

Submitted 16 January, 2025; originally announced January 2025.

Comments: 14 pages, 4 figures

Journal ref: Materials Horizons, 11, 5394-5401, 2024

Roles of Structural Coordination and Strain Orientation in the Phase Stability of Ferroelectric HfO$_2$

Authors: Adedamola D. Aladese, Xiao Shen

Abstract: Phase stabilization continues to be a critical issue in hafnium oxide (HfO$_2$) due to the interdependence of various contributing factors. Using first-principles calculations, we analyze the effects of strain and doping on stabilizing the ferroelectric phase. We found that combining Y-doping, O-vacancy, and compressive biaxial strain, particularly in the (111) orientation, offers an optimal pathw… ▽ More Phase stabilization continues to be a critical issue in hafnium oxide (HfO$_2$) due to the interdependence of various contributing factors. Using first-principles calculations, we analyze the effects of strain and doping on stabilizing the ferroelectric phase. We found that combining Y-doping, O-vacancy, and compressive biaxial strain, particularly in the (111) orientation, offers an optimal pathway for stabilizing the ferroelectric phase of HfO$_2$. Analysis of structural coordination reveals how compressive strain affects phase competition. Crystallography analysis provides insights into the advantage of the (111) strain orientation compared to the (001) orientation. The impact of dopants is discussed in the context of these findings. △ Less

Submitted 30 December, 2024; originally announced January 2025.

Multiple magnetic orders discovered in the superconducting state of EuFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$

Authors: Nan Zhou, Yue Sun, Ivan S. Veshchunov, S. Kittaka, X. L. Shen, H. M. Ma, W. Wei, Y. Q. Pan, M. Cheng, Y. F. Zhang, Y. Kono, Yuping Sun, T. Tamegai, Xuan Luo, Zhixiang Shi, Toshiro Sakakibara

Abstract: The interplay between superconductivity and magnetism is an important subject in condensed matter physics. EuFe$_{2}$As$_{2}$-based iron pnictides could offer an interesting plateau to study their relationship that has attracted considerable attention. So far, two magnetic phase transitions were observed in EuFe$_{2}$As$_{2}$-based crystal, which were deemed to originate from the itinerant Fe mome… ▽ More The interplay between superconductivity and magnetism is an important subject in condensed matter physics. EuFe$_{2}$As$_{2}$-based iron pnictides could offer an interesting plateau to study their relationship that has attracted considerable attention. So far, two magnetic phase transitions were observed in EuFe$_{2}$As$_{2}$-based crystal, which were deemed to originate from the itinerant Fe moments ($\sim$ 190 K) and the localized Eu$^{2+}$ moments ($\sim$ 19 K), respectively. Here, we systematically studied the heat capacity for the EuFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ crystals with \textit{x} = 0.21 (optimally doped) and \textit{x} = 0.29 (overdoped). We have found two new magnetic orders in the superconducting state (ranging from 0.4 to 1.2 K) in the optimally doped crystal. As more P was introduced into the As site, one of the magnetic orders becomes absent in the overdoped crystal. Additionally, we observed strong field and orientation dependence in heat capacity. The present findings in EuFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ have detected the new low-temperature magnetic orders, which may originate from the localized Eu$^{2+}$ spins order or the spin reorientation. △ Less

Submitted 6 December, 2024; originally announced December 2024.

Comments: 14 pages, 12 figures

Journal ref: New J. Phys. 26 (2024) 093008

Perspective on 2D perovskite ferroelectrics and multiferroics

Authors: Junting Zhang, Yu Xie, Ke Ji, Xiaofan Shen

Abstract: Two-dimensional (2D) ferroelectrics and multiferroics have attracted considerable scientific and technological interest in recent years due to the increasing demands for miniaturization and low energy consumption of electronic devices. At present, the research on 2D ferroelectrics and multiferroics is still focused on van der Waals materials, while the known bulk ferroelectric and multiferroic mat… ▽ More Two-dimensional (2D) ferroelectrics and multiferroics have attracted considerable scientific and technological interest in recent years due to the increasing demands for miniaturization and low energy consumption of electronic devices. At present, the research on 2D ferroelectrics and multiferroics is still focused on van der Waals materials, while the known bulk ferroelectric and multiferroic materials are mostly found in perovskite systems. The ability to prepare and transfer 2D perovskite oxides has provided unprecedented opportunities for developing ferroelectrics and multiferroics based on 2D perovskites. In this Perspective, we review the research progress on 2D ferroelectrics and multiferroics in inorganic perovskites in terms of different ferroelectric and magnetoelectric coupling mechanisms. The improper ferroelectricity and novel magnetoelectric coupling mechanisms discovered in 2D perovskites are emphasized, and then, the main challenges and future development direction are put forward. △ Less

Submitted 5 December, 2024; originally announced December 2024.

Comments: 12pages, 6 figures, 1 table. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in (Appl. Phys. Lett. 125, 230503 (2024)) and may be found at (https://pubs.aip.org/aip/apl/article-abstract/125/23/230503/3323852/Perspective-on-2D-perovskite-ferroelectrics-and?redirectedFrom=fulltext)

Journal ref: Appl. Phys. Lett. 125, 230503 (2024)

Magnetorotons in Moiré Fractional Chern Insulators

Authors: Xiaoyang Shen, Chonghao Wang, Xiaodong Hu, Ruiping Guo, Hong Yao, Chong Wang, Wenhui Duan, Yong Xu

Abstract: The discovery of fractional Chern insulators (FCIs) unlocks exciting opportunities to explore emergent physical excitations arising from topological and geometric effects in novel phases of quantum matter. Here we investigate the intraband neutral excitations, namely magnetorotons, in moiré FCIs within twisted $\rm{MoTe}_2$ by applying the Girvin, MacDonald, and Platzman (GMP) ansatz together with… ▽ More The discovery of fractional Chern insulators (FCIs) unlocks exciting opportunities to explore emergent physical excitations arising from topological and geometric effects in novel phases of quantum matter. Here we investigate the intraband neutral excitations, namely magnetorotons, in moiré FCIs within twisted $\rm{MoTe}_2$ by applying the Girvin, MacDonald, and Platzman (GMP) ansatz together with the method of dynamical geometric response. We reveal the universal existence of the finite-momentum magnetorotons in moiré FCIs and predict their characteristic scales. Furthermore, we explore the geometric nature of magnetorotons in the long-wavelength limit, identifying their gapped chiral nature with angular momentum-2, which originates from the momentum-space incompressibility of FCIs. Utilizing the excellent tunability of moiré systems, we extend our analysis to other incompressible phases and uncover the dynamical properties of geometric excitations influenced by quantum phase transitions. Finally, we provide experimental proposals for detecting and advancing the study of intraband neutral excitations in moiré FCIs. △ Less

Submitted 21 February, 2025; v1 submitted 2 December, 2024; originally announced December 2024.

Comments: 5+9 pages

Magnetic polaronic exciton in A-type 2D van der Waals bulk material CrSBr

Authors: Xiaodong Shen, Jiajun Cao, Weizheng Liang, Borong Cong, Bao Ke, Jialong Zhao, Bingsuo Zou

Abstract: 2D magnetic semiconductor CrSBr exhibits unique magneto-optical properties, yet its electronic structure and photophysical mechanisms remain unclear at high magnetic field and low temperature. Through comprehensive spectroscopic investigations, its charge-transfer band edge is identified at 500 nm. Below this band-edge, local excitonic magnetic polaronic states from Cr3+ ions out of FM aggregates… ▽ More 2D magnetic semiconductor CrSBr exhibits unique magneto-optical properties, yet its electronic structure and photophysical mechanisms remain unclear at high magnetic field and low temperature. Through comprehensive spectroscopic investigations, its charge-transfer band edge is identified at 500 nm. Below this band-edge, local excitonic magnetic polaronic states from Cr3+ ions out of FM aggregates in layer and bilayer could be seen due to phonon-spin-exciton coupling, in which magnetic polaronic PL1 emission occurs at 720 nm from single Cr3+ d-d transition, a dark-state pair exciton occurs at 850 nm in 10 K magnetic field, and double-peak PL2 emission at 920 nm out of Cr3+ FM trimer in monolayer is seen; besides, the magnetic bi-polaronic PL3 at 990 nm can be assigned to Cr3+ tetramers between FM adjacent layers. In magnetic field perpendicular to the layer, direct competition between PL1and dark-state excitons and PL2 and PL3 excitonic states persist in different temperatures. This study sheds light on the complicated magneto-exciton interactions in the multi-body effect of CrSBr, beneficial for quantum modulation in layered magnetic semiconductors. △ Less

Submitted 26 November, 2024; originally announced November 2024.

Manipulation of topology by electric field in breathing kagome lattice

Authors: Yu Xie, Ke Ji, Jun He, Xiaofan Shen, Dinghui Wang, Junting Zhang

Abstract: Magnetic kagome lattices have attracted much attention recently due to the interplay of band topology with magnetism and electronic correlations, which give rise to a variety of exotic quantum states. A common structural distortion of the kagome lattice is the breathing mode, which can significantly influence the magnetism and band characteristics. However, the modulation of breathing mode and the… ▽ More Magnetic kagome lattices have attracted much attention recently due to the interplay of band topology with magnetism and electronic correlations, which give rise to a variety of exotic quantum states. A common structural distortion of the kagome lattice is the breathing mode, which can significantly influence the magnetism and band characteristics. However, the modulation of breathing mode and the associated topological phenomena remain rarely explored. Here, we demonstrate that the coupling of breathing modes with ferroelectricity, magnetism, and band topology in the M3X8 monolayer system enables electric field manipulation of topological spin structure and electronic states. The breathing mode mainly occurs in materials containing early 4d/5d transition metal elements and can be reversed or even suppressed via ferroelectric switching in low-barrier materials. Importantly, electric field-induced switching of the breathing mode can alter the chirality of the topological spin structure, or trigger a transition from a topological trivial insulator to a Chern insulator. This work paves the way for exploring novel physical phenomena driven by breathing modes in kagome materials. △ Less

Submitted 16 July, 2025; v1 submitted 26 November, 2024; originally announced November 2024.

Comments: 8 pages, 4 figures, ref:Phys. Rev. Lett.(accepted)

Atomic-scale study on core-shell Cu precipitation in steels: atom probe tomography and ab initio calculations

Authors: Xiao Shen, YiXu Wang, Zigan Xu, Bowen Zou, Enzo Liotti, Richard Dronskowski, Wenwen Song

Abstract: The present work investigates the atomic interactions among Cu, Al, and Ni elements in bcc-iron matrix, focusing on the formation mechanism of nano-sized core-shell Cu precipitates. Using a combination of atom probe tomography (APT), density functional theory (DFT) cal-culations, and molecular dynamics (MD) simulations, the study provides insights into the atomic-scale migration tendencies of thes… ▽ More The present work investigates the atomic interactions among Cu, Al, and Ni elements in bcc-iron matrix, focusing on the formation mechanism of nano-sized core-shell Cu precipitates. Using a combination of atom probe tomography (APT), density functional theory (DFT) cal-culations, and molecular dynamics (MD) simulations, the study provides insights into the atomic-scale migration tendencies of these elements in the supersaturated solid solution sur-rounding Cu precipitate in the martensite phase of a medium-Mn steel. The results show that Ni and Al atoms were not expelled by Cu atoms but were instead attracted to the bcc iron matrix, forming a stable co-segregation in the outer shell. This phase effectively surrounded the nano-sized Cu precipitate and prevented its rapid growth, contributing to improved me-chanical properties. The findings offer a theoretical method for developing Cu-contaminated circular steels by utilizing DFT calculations to unravel bonding preferences and assess the po-tential for forming a stable precipitation phase around nano-sized Cu precipitates. △ Less

Submitted 12 November, 2024; originally announced November 2024.

Realizing Intrinsically Glass-like Thermal Transport via Weakening the Ag-Ag Bonds in Ag$_{6}$ Octahedra

Authors: Xingchen Shen, Zhonghao Xia, Jun Zhou, Yuling Huang, Yali Yang, Jiangang He, Yi Xia

Abstract: Crystals exhibiting glass-like and low lattice thermal conductivity ($κ_{\rm L}$) are not only scientifically intriguing but also practically valuable in various applications, including thermal barrier coatings, thermoelectric energy conversion, and thermal management. However, such unusual $κ_{\rm L}$ are typically observed only in compounds containing heavy elements, with large unit cells, or at… ▽ More Crystals exhibiting glass-like and low lattice thermal conductivity ($κ_{\rm L}$) are not only scientifically intriguing but also practically valuable in various applications, including thermal barrier coatings, thermoelectric energy conversion, and thermal management. However, such unusual $κ_{\rm L}$ are typically observed only in compounds containing heavy elements, with large unit cells, or at high temperatures, primarily due to significant anharmonicity. In this study, we utilize chemical bonding principles to weaken the Ag-Ag bonds within the Ag$_6$ octahedron by introducing a ligand in the bridge position. Additionally, the weak Ag-chalcogen bonds, arising from fully filled $p$-$d$ antibonding orbitals, provide an avenue to further enhance lattice anharmonicity. We propose the incorporation of a chalcogen anion as a bridge ligand to promote phonon rattling in Ag$_6$-octahedron-based compounds. Guided by this design strategy, we theoretically identified five Ag$_6$ octahedron-based compounds, $A$Ag$_3X_2$ ($A$ = Li, Na, and K; $X$ = S and Se), which are characterized by low average atomic masses and exhibit exceptionally strong four-phonon scattering. Consequently, these compounds demonstrate ultralow thermal conductivities (0.3 $\sim$ 0.6 Wm$^{-1}$K$^{-1}$) with minimal temperature dependence (T$^{-0.1}$) across a wide temperature range. Experimental validation confirmed that the $κ_{\rm L}$ of NaAg$_3$S$_2$ is 0.45 Wm$^{-1}$K$^{-1}$ within the temperature range of 200 to 550 K. Our results clearly demonstrate that weak chemical bonding plays a crucial role in designing compounds with glass-like $κ_{\rm L}$, highlighting the effectiveness of chemical bonding engineering in achieving desired thermal transport properties. △ Less

Submitted 8 November, 2024; originally announced November 2024.

Phosphorus Nanotubes from Chemical Cleavage

Authors: Romakanta Bhattarai, Xiao Shen

Abstract: We propose a strategy to make phosphorus nanotubes from two well-known phosphorus allotropes: violet phosphorus and fibrous red phosphorus. First-principles calculations show that doping with sulfur dissociates the covalent bonds between tubular phosphorus structures that form bilayers in these allotropes, resulting in free-standing 1D nanotubes. Due to the substitutional nature of the sulfur dopa… ▽ More We propose a strategy to make phosphorus nanotubes from two well-known phosphorus allotropes: violet phosphorus and fibrous red phosphorus. First-principles calculations show that doping with sulfur dissociates the covalent bonds between tubular phosphorus structures that form bilayers in these allotropes, resulting in free-standing 1D nanotubes. Due to the substitutional nature of the sulfur dopant, the resulting 1D structure is linear, unlike the helical ring structure studied previously. The sulfur sites are situated periodically along the 1D nanotubes and can be further functionalized. Our results show that the S-doped phosphorus nanotube can sustain a tensile strain of up to 18%. The strain also substantially modifies the electronic band gap and the effective mass of carriers. Calculations using the many-body Green's functions (GW) and the Bethe-Salpeter equation (BSE) approaches reveal a large exciton binding energy of 1.57 eV. The one-dimensional nature, linearity, functionalizability, mechanical flexibility, tunability of electronic properties, and large exciton binding energy make this material interesting for applications in optoelectronic devices, solar cells, chemical sensors, and quantum computing. △ Less

Submitted 29 November, 2024; v1 submitted 22 October, 2024; originally announced October 2024.

Ultrafast symmetry control in photoexcited quantum dots

Authors: Burak Guzelturk, Joshua Portner, Justin Ondry, Samira Ghanbarzadeh, Mia Tarantola, Ahhyun Jeong, Thomas Field, Alicia M. Chandler, Eliza Wieman, Thomas R. Hopper, Nicolas E. Watkins, Jin Yue, Xinxin Cheng, Ming-Fu Lin, Duan Luo, Patrick L. Kramer, Xiaozhe Shen, Alexander H. Reid, Olaf Borkiewicz, Uta Ruett, Xiaoyi Zhang, Aaron M. Lindenberg, Jihong Ma, Richard Schaller, Dmitri V. Talapin , et al. (1 additional authors not shown)

Abstract: Symmetry control is essential for realizing unconventional properties, such as ferroelectricity, nonlinear optical responses, and complex topological order, thus it holds promise for the design of emerging quantum and photonic systems. Nevertheless, fast and reversible control of symmetry in materials remains a challenge, especially for nanoscale systems. Here, we unveil reversible symmetry change… ▽ More Symmetry control is essential for realizing unconventional properties, such as ferroelectricity, nonlinear optical responses, and complex topological order, thus it holds promise for the design of emerging quantum and photonic systems. Nevertheless, fast and reversible control of symmetry in materials remains a challenge, especially for nanoscale systems. Here, we unveil reversible symmetry changes in colloidal lead chalcogenide quantum dots on picosecond timescales. Using a combination of ultrafast electron diffraction and total X-ray scattering, in conjunction with atomic-scale structural modeling and first-principles calculations, we reveal that symmetry-broken lead sulfide quantum dots restore to a centrosymmetric phase upon photoexcitation. The symmetry restoration is driven by photoexcited electronic carriers, which suppress lead off-centering for about 100 ps. Furthermore, the change in symmetry is closely correlated with the electronic properties as shown by transient optical measurements. Overall, this study elucidates reversible symmetry changes in colloidal quantum dots, and more broadly defines a new methodology to optically control symmetry in nanoscale systems on ultrafast timescales. △ Less

Submitted 27 August, 2024; originally announced August 2024.

Comments: 19 pages, 5 figures

PDDFormer: Pairwise Distance Distribution Graph Transformer for Crystal Material Property Prediction

Authors: Xiangxiang Shen, Zheng Wan, Lingfeng Wen, Licheng Sun, Jian Yang, Xuan Tang, Shing-Ho J. Lin, Xiao He, Mingsong Chen, Xian Wei

Abstract: Crystal structures can be simplified as a periodic point set that repeats across three-dimensional space along an underlying lattice. Traditionally, crystal representation methods characterize the structure using descriptors such as lattice parameters, symmetry, and space groups. However, in reality, atoms in materials always vibrate above absolute zero, causing their positions to fluctuate contin… ▽ More Crystal structures can be simplified as a periodic point set that repeats across three-dimensional space along an underlying lattice. Traditionally, crystal representation methods characterize the structure using descriptors such as lattice parameters, symmetry, and space groups. However, in reality, atoms in materials always vibrate above absolute zero, causing their positions to fluctuate continuously. This dynamic behavior disrupts the fundamental periodicity of the lattice, making crystal graphs based on static lattice parameters and conventional descriptors discontinuous under slight perturbations. Chemists proposed the pairwise distance distribution (PDD) method to address this problem. However, the completeness of PDD requires defining a large number of neighboring atoms, leading to high computational costs. Additionally, PDD does not account for atomic information, making it challenging to apply it directly to crystal material property prediction tasks. To tackle these challenges, we introduce the atom-Weighted Pairwise Distance Distribution (WPDD) and Unit cell Pairwise Distance Distribution (UPDD) and apply them to the construction of multi-edge crystal graphs. We demonstrate the continuity and general completeness of crystal graphs under slight atomic position perturbations. Moreover, by modeling PDD as global information and integrating it into matrix-based message passing, we significantly reduce computational costs. Comprehensive evaluation results show that WPDDFormer achieves state-of-the-art predictive accuracy across tasks on benchmark datasets such as the Materials Project and JARVIS-DFT. △ Less

Submitted 23 November, 2025; v1 submitted 23 August, 2024; originally announced August 2024.

Comments: 15pages,8 figures

Fractional Chern insulators in moiré flat bands with high Chern numbers

Authors: Chonghao Wang, Xiaoyang Shen, Ruiping Guo, Chong Wang, Wenhui Duan, Yong Xu

Abstract: Recent discoveries of zero-field fractional Chern insulators in moiré materials have attracted intensive research interests. However, most current theoretical and experimental attempts focus on systems with low Chern number bands, in analogy to the Landau levels. Here we propose candidate material systems for realizing fractional Chern insulators with higher Chern numbers. The material setup invol… ▽ More Recent discoveries of zero-field fractional Chern insulators in moiré materials have attracted intensive research interests. However, most current theoretical and experimental attempts focus on systems with low Chern number bands, in analogy to the Landau levels. Here we propose candidate material systems for realizing fractional Chern insulators with higher Chern numbers. The material setup involves $Γ$-valley twisted homobilayer transition metal dichalcogenides in proximity to a skyrmion lattice. The skyrmion exchange potential induces a flat band with a high Chern number $C = -2$. Using the momentum-space projected exact diagonalization method, we perform a comprehensive study at various filling factors, confirming the generalized Jain series. Our research provides theoretical guidance on realizing unconventional fractional Chern insulators beyond the Landau level picture. △ Less

Submitted 6 August, 2024; originally announced August 2024.

Comments: 6 pages, 4 figures

Boundary and defect criticality in topological insulators and superconductors

Authors: Xiaoyang Shen, Zhengzhi Wu, Shao-Kai Jian

Abstract: We study the boundary criticality enriched by boundary fermions, which ubiquitously emerge in topological phases of matter, with a focus on topological insulators and topological superconductors. By employing dimensional regularization and bosonization techniques, we uncover several unprecedented boundary universality classes. These include the boundary Gross-Neveu-Yukawa critical point and the sp… ▽ More We study the boundary criticality enriched by boundary fermions, which ubiquitously emerge in topological phases of matter, with a focus on topological insulators and topological superconductors. By employing dimensional regularization and bosonization techniques, we uncover several unprecedented boundary universality classes. These include the boundary Gross-Neveu-Yukawa critical point and the special Berezinskii-Kosterlitz-Thouless (BKT) transition, both resulting from the interplay between edge modes and bulk bosons. We present a comprehensive sketch of the phase diagram that accommodates these boundary criticalities and delineate their critical exponents. Additionally, we explore a 1+1D conformal defect decorated with fermions, where a defect BKT transition is highlighted. We conclude with a discussion on potential experimental realizations of these phenomena. △ Less

Submitted 21 July, 2025; v1 submitted 22 July, 2024; originally announced July 2024.

Comments: 4.4 pages + supplemental material, 2 figures, 1 table

Journal ref: Phys. Rev. B 112, L041118 (2025)

Observation of Klein bottle quadrupole topological insulators in electric circuits

Authors: Xizhou Shen, Keyu Pan, Xiumei Wang, Xingping Zhou

Abstract: The Klein bottle Benalcazar-Bernevig-Hughes (BBH) insulator phase plays a pivotal role in understanding higher-order topological phases. The insulator phase is characterized by a unique feature: a nonsymmorphic glide symmetry that exists within momentum space, rather than real space. This characteristic transforms the Brillouin zone's fundamental domain into a structure of Klein bottle. Here, we r… ▽ More The Klein bottle Benalcazar-Bernevig-Hughes (BBH) insulator phase plays a pivotal role in understanding higher-order topological phases. The insulator phase is characterized by a unique feature: a nonsymmorphic glide symmetry that exists within momentum space, rather than real space. This characteristic transforms the Brillouin zone's fundamental domain into a structure of Klein bottle. Here, we report an observation of a Klein bottle topoelectrical model under gauge fields. To provide a comprehensive understanding of the different corner distributions of odd and even unit cells, we present theoretical calculations and demonstrate that the symmetry properties significantly affect the topological nature. These theoretical predictions are confirmed by experimental results, which demonstrate the practical feasibility of such topological configurations in electronic circuits. Our work establishes a vital connection between the realms of condensed matter physics and circuit systems, thereby paving a pathway for investigating exotic condensed matter physics. △ Less

Submitted 19 July, 2024; v1 submitted 10 July, 2024; originally announced July 2024.

Bulk high-temperature superconductivity in the high-pressure tetragonal phase of bilayer La2PrNi2O7

Authors: Ningning Wang, Gang Wang, Xiaoling Shen, Jun Hou, Jun Luo, Xiaoping Ma, Huaixin Yang, Lifen Shi, Jie Dou, Jie Feng, Jie Yang, Yunqing Shi, Zhian Ren, Hanming Ma, Pengtao Yang, Ziyi Liu, Yue Liu, Hua Zhang, Xiaoli Dong, Yuxin Wang, Kun Jiang, Jiangping Hu, Stuart Calder, Jiaqiang Yan, Jianping Sun , et al. (4 additional authors not shown)

Abstract: The Ruddlesden-Popper (R-P) bilayer nickelate, La3Ni2O7, was recently found to show signatures of high-temperature superconductivity (HTSC) at pressures above 14 GPa. Subsequent investigations achieved zero resistance in single- and poly-crystalline samples under hydrostatic pressure conditions. Yet, obvious diamagnetic signals, the other hallmark of superconductors, are still lacking owing to the… ▽ More The Ruddlesden-Popper (R-P) bilayer nickelate, La3Ni2O7, was recently found to show signatures of high-temperature superconductivity (HTSC) at pressures above 14 GPa. Subsequent investigations achieved zero resistance in single- and poly-crystalline samples under hydrostatic pressure conditions. Yet, obvious diamagnetic signals, the other hallmark of superconductors, are still lacking owing to the filamentary nature with low superconducting volume fraction. The presence of a novel "1313" polymorph and competing R-P phases obscured proper identification of the phase for HTSC. Thus, achieving bulk HTSC and identifying the phase at play are the most prominent tasks at present. Here, we address these issues in the praseodymium (Pr)-doped La2PrNi2O7 polycrystalline samples. We find that the substitutions of Pr for La effectively inhibits the intergrowth of different R-P phases, resulting in nearly pure bilayer structure. For La2PrNi2O7, pressure-induced orthorhombic-to-tetragonal structural transition takes place at Pc ~ 11 GPa, above which HTSC emerges gradually upon further compression. The superconducting transition temperatures at 18-20 GPa reach Tconset = 82.5 K and Tczero = 60 K, which are the highest values among known nickelate superconductors. More importantly, bulk HTSC was testified by detecting clear diamagnetic signals below ~75 K corresponding to an estimated superconducting volume fraction ~ 57(5)% at 20 GPa. Our results not only resolve the existing controversies but also illuminate directions for exploring bulk HTSC in the bilayer nickelates. △ Less

Submitted 8 July, 2024; originally announced July 2024.

Lone Pair Induced 1D Character and Weak Cation-anion Interactions: Two Ingredients for Low Thermal Conductivity in Mixed-anion Metal Chalcohalides

Authors: Xingchen Shen, Koushik Pal, Paribesh Acharyya, Bernard Raveau, Philippe Boullay, Carmelo Prestipino, Susumu Fujii, Chun-Chuen Yang, I-Yu Tsao, Adele Renaud, Pierric Lemoine, Christophe Candolfi, Emmanuel Guilmeau

Abstract: Mixed-anion compounds, which incorporate multiple types of anions into materials, displays tailored crystal structures and physical/chemical properties, garnering immense interests in various applications such as batteries, catalysis, photovoltaics, and thermoelectrics. However, detailed studies regarding correlations between crystal structure, chemical bonding, and thermal/vibrational properties… ▽ More Mixed-anion compounds, which incorporate multiple types of anions into materials, displays tailored crystal structures and physical/chemical properties, garnering immense interests in various applications such as batteries, catalysis, photovoltaics, and thermoelectrics. However, detailed studies regarding correlations between crystal structure, chemical bonding, and thermal/vibrational properties are rare for these compounds, which limits the exploration of mixed-anion compounds for associated thermal applications. In this work, we investigate the lattice dynamics and thermal transport properties of the metal chalcohalides, CuBiSCl2. A high-purity polycrystalline CuBiSCl2 sample, successfully synthesized via modified solid-state synthetic method, exhibits a low lattice thermal conductivity of 0.9-0.6 W m-1 K-1 from 300 to 573 K. By combining various experimental techniques including 3D electron diffraction with theoretical calculations, we elucidate the origin of low lattice thermal conductivity in CuBiSCl2. The stereo-chemical activity of the 6s2 lone pair of Bi3+ favors an asymmetric environment with neighboring anions involving both short and long bond lengths. This particularity often implies weak bonding, low structure dimensionality, and strong anharmonicity, leading to low lattice thermal conductivity. In addition, the strong two-fold linear S-Cu-S coordination with weak Cu -- Cl interactions induces large anisotropic vibration of Cu or structural disorder, which enables strong phonon-phonon scattering and decreases lattice thermal conductivity. The investigations into lattice dynamics and thermal transport properties of CuBiSCl2 broadens the scope of the existing mixed-anion compounds suitable for the associated thermal applications, offering a new avenue for the search of low thermal conductivity materials in low-cost mixed-anion compounds. △ Less

Submitted 24 June, 2024; originally announced June 2024.

Towards establishing best practice in the analysis of hydrogen and deuterium by atom probe tomography

Authors: Baptiste Gault, Aparna Saksena, Xavier Sauvage, Paul Bagot, Leonardo S. Aota, Jonas Arlt, Lisa T. Belkacemi, Torben Boll, Yi-Sheng Chen, Luke Daly, Milos B. Djukic, James O. Douglas, Maria J. Duarte, Peter J. Felfer, Richard G. Forbes, Jing Fu, Hazel M. Gardner, Ryota Gemma, Stephan S. A. Gerstl, Yilun Gong, Guillaume Hachet, Severin Jakob, Benjamin M. Jenkins, Megan E. Jones, Heena Khanchandani , et al. (20 additional authors not shown)

Abstract: As hydrogen is touted as a key player in the decarbonization of modern society, it is critical to enable quantitative H analysis at high spatial resolution, if possible at the atomic scale. Indeed, H has a known deleterious impact on the mechanical properties (strength, ductility, toughness) of most materials that can hinder their use as part of the infrastructure of a hydrogen-based economy. Enab… ▽ More As hydrogen is touted as a key player in the decarbonization of modern society, it is critical to enable quantitative H analysis at high spatial resolution, if possible at the atomic scale. Indeed, H has a known deleterious impact on the mechanical properties (strength, ductility, toughness) of most materials that can hinder their use as part of the infrastructure of a hydrogen-based economy. Enabling H mapping, including local hydrogen concentration analyses at specific microstructural features, is essential for understanding the multiple ways that H affect the properties of materials, including for instance embrittlement mechanisms and their synergies, but also spatial mapping and quantification of hydrogen isotopes is essential to accurately predict tritium inventory of future fusion power plants, ensuring their safe and efficient operation for example. Atom probe tomography (APT) has the intrinsic capabilities for detecting hydrogen (H), and deuterium (D), and in principle the capacity for performing quantitative mapping of H within a material's microstructure. Yet the accuracy and precision of H analysis by APT remain affected by the influence of residual hydrogen from the ultra-high vacuum chamber that can obscure the signal of H from within the material, along with a complex field evaporation behavior. The present article reports the essence of discussions at a focused workshop held at the Max-Planck Institute for Sustainable Materials in April 2024. The workshop was organized to pave the way to establishing best practices in reporting APT data for the analysis of H. We first summarize the key aspects of the intricacies of H analysis by APT and propose a path for better reporting of the relevant data to support interpretation of APT-based H analysis in materials. △ Less

Submitted 21 May, 2024; originally announced May 2024.

Stabilizing fractional Chern insulators via exchange interaction in moiré systems

Authors: Xiaoyang Shen, Chonghao Wang, Ruiping Guo, Zhiming Xu, Wenhui Duan, Yong Xu

Abstract: Recent experimental discovery of fractional Chern insulator in moiré Chern band in twisted transition metal dichalocogenide homobilayers has sparked intensive interest in exploring the ways of engineering band topology and correlated states in moiré systems. In this letter, we demonstrate that, with an additional exchange interaction induced by proximity effect, the topology and bandwidth of the m… ▽ More Recent experimental discovery of fractional Chern insulator in moiré Chern band in twisted transition metal dichalocogenide homobilayers has sparked intensive interest in exploring the ways of engineering band topology and correlated states in moiré systems. In this letter, we demonstrate that, with an additional exchange interaction induced by proximity effect, the topology and bandwidth of the moiré minibands of twisted $\mathrm{MoTe_2}$ homobilayers can be easily tuned. Fractional Chern insulators at -2/3 filling are found to appear at enlarged twist angles over a large range of twist angles with enhanced many-body gaps. We further discover a topological phase transition between the fractional Chern insulator, quantum anomalous Hall crystal, and charge density wave. Our results shed light on the interplay between topology and correlation physics. △ Less

Submitted 20 May, 2024; originally announced May 2024.

Comments: 7 pages, 4 figures

Hierarchical Characterization of Thermoelectric Performance in Copper-Based Chalcogenide CsCu$_3$S$_2$: Unveiling the role of Anharmonic Lattice Dynamics

Authors: Jincheng Yue, Jiongzhi Zheng, Junda Li, Xingchen Shen, Wenling Ren, Yanhui Liu, Tian Cui

Abstract: We explicitly consider both phonon energy shifts and broadening arising from both cubic and quartic anharmonicities, as well as diagonal/non-diagonal terms of heat flux operators in thermal conductivity. Our findings show that the strong anharmonicity of CsCu$_3$S$_2$ primarily arises from the presence of $p$-$d$ anti-bonding hybridization between Cu and S atoms, coupled with the random oscillatio… ▽ More We explicitly consider both phonon energy shifts and broadening arising from both cubic and quartic anharmonicities, as well as diagonal/non-diagonal terms of heat flux operators in thermal conductivity. Our findings show that the strong anharmonicity of CsCu$_3$S$_2$ primarily arises from the presence of $p$-$d$ anti-bonding hybridization between Cu and S atoms, coupled with the random oscillations of Cs atoms. Notably, the competition between phonon hardening described by the loop diagram and softening induced by the bubble diagram significantly influences particle-like propagation, predominantly reflected in group velocity and energy-conservation rule. Additionally, the electrical transport properties are determined by employing the precise momentum relaxation-time approximation (MRTA). At high temperatures, the thermoelectric performance of $p$-type CsCu$_3$S$_2$ reaches its optimum theoretical value of 0.94 along the in-plane direction based on advanced phonon renormalization theory. In striking contrast, the harmonic approximation theory significantly overestimates the thermoelectric efficiency at the same temperatures, rendering it an impractical expectation. Conversely, the first-order renormalization approach leads to a serious underestimation of the thermoelectric properties due to the over-correction of phonon energy. Our study not only reveals the pivotal role of anharmonic lattice dynamics in accurately assessing thermoelectric properties but also underscores the potential thermoelectric applications for novel copper-based chalcogenides. △ Less

Submitted 6 September, 2024; v1 submitted 8 May, 2024; originally announced May 2024.

Observation of Young's double-slit phenomenon in anti-PT-symmetric electrical circuits

Authors: Keyu Pan, Xiumei Wang, Xizhou Shen, Haoyi Zhou, Xingping Zhou

Abstract: In the last few decades, interference has been extensively studied in both the quantum and classical fields, which reveals light volatility and is widely used for high-precision measurements. We have put forward the phenomenon in which the discrete diffraction and interference phenomena, presented by the time-varying voltage of a Su-Schrieffer-Heeger (SSH) circuit model with an anti-PT (APT) symme… ▽ More In the last few decades, interference has been extensively studied in both the quantum and classical fields, which reveals light volatility and is widely used for high-precision measurements. We have put forward the phenomenon in which the discrete diffraction and interference phenomena, presented by the time-varying voltage of a Su-Schrieffer-Heeger (SSH) circuit model with an anti-PT (APT) symmetry. To demonstrate Young's double-slit phenomenon in an APT circuit, we initially explore the coupled mode theory (CMT) of voltage in the broken phase, observe discrete diffraction under single excitation and interference under double excitations. Furthermore, we design a phase-shifting circuit to observe the effects of phase difference and distance on discrete interference. Our work combines the effects in optics with condensed matter physics, show the Young's double-slit phenomenon in electrical circuits theoretically and experimentally. △ Less

Submitted 21 April, 2024; v1 submitted 17 April, 2024; originally announced April 2024.

Element-specific ultrafast lattice dynamics in FePt nanoparticles

Authors: Diego Turenne, Igor Vaskivskiy, Klaus Sokolowski-Tinten, Xijie Wang, Alexander H. Reid, Xiaoshe Shen, Ming-Fu Lin, Suji Park, Stephen Weathersby, Michael Kozina, Matthias Hoffmann, Jian Wang, Jakub Sebesta, Yukiko K. Takahashi, Oscar Grånäs, Peter Oppeneer, Hermann A. Dürr

Abstract: Light-matter interaction at the nanoscale in magnetic alloys and heterostructures is a topic of intense research in view of potential applications in high-density magnetic recording. While the element-specific dynamics of electron spins is directly accessible to resonant x-ray pulses with femtosecond time structure, the possible element-specific atomic motion remains largely unexplored. We use ult… ▽ More Light-matter interaction at the nanoscale in magnetic alloys and heterostructures is a topic of intense research in view of potential applications in high-density magnetic recording. While the element-specific dynamics of electron spins is directly accessible to resonant x-ray pulses with femtosecond time structure, the possible element-specific atomic motion remains largely unexplored. We use ultrafast electron diffraction to probe the temporal evolution of lattice Bragg peaks of FePt nanoparticles embedded in a carbon matrix following excitation by an optical femtosecond laser pulse. The diffraction interference between Fe and Pt sublattices enables us to demonstrate that the Fe mean-square vibration amplitudes are significantly larger that those of Pt as expected from their different atomic mass. Both are found to increase as energy is transferred from the laser-excited electrons to the lattice. Contrary to this intuitive behavior, we observe a laser-induced lattice expansion that is larger for Pt than for Fe atoms during the first picosecond after laser excitation. This effect points to the strain-wave driven lattice expansion with the longitudinal acoustic Pt motion dominating that of Fe. △ Less

Submitted 13 April, 2024; v1 submitted 7 April, 2024; originally announced April 2024.

Comments: 21 pages, 5 figures

Room-temperature sub-100 nm Néel-type skyrmions in non-stoichiometric van der Waals ferromagnet $\rm Fe_{3-x}GaTe_{2}$ with ultrafast laser writability

Authors: Zefang Li, Huai Zhang, Guanqi Li, Jiangteng Guo, Qingping Wang, Ying Deng, Yue Hu, Xuange Hu, Can Liu, Minghui Qin, Xi Shen, Richeng Yu, Xingsen Gao, Zhimin Liao, Junming Liu, Zhipeng Hou, Yimei Zhu, Xuewen Fu

Abstract: Realizing room-temperature magnetic skyrmions in two-dimensional van der Waals ferromagnets offers unparalleled prospects for future spintronic applications. However, due to the intrinsic spin fluctuations that suppress atomic long-range magnetic order and the inherent inversion crystal symmetry that excludes the presence of the Dzyaloshinskii-Moriya interaction, achieving room-temperature skyrmio… ▽ More Realizing room-temperature magnetic skyrmions in two-dimensional van der Waals ferromagnets offers unparalleled prospects for future spintronic applications. However, due to the intrinsic spin fluctuations that suppress atomic long-range magnetic order and the inherent inversion crystal symmetry that excludes the presence of the Dzyaloshinskii-Moriya interaction, achieving room-temperature skyrmions in 2D magnets remains a formidable challenge. In this study, we target room-temperature 2D magnet $\rm Fe_3GaTe_2$ and unveil that the introduction of iron-deficient into this compound enables spatial inversion symmetry breaking, thus inducing a significant Dzyaloshinskii-Moriya interaction that brings about room-temperature Néel-type skyrmions with unprecedentedly small size. To further enhance the practical applications of this finding, we employ a homemade in-situ optical Lorentz transmission electron microscopy to demonstrate ultrafast writing of skyrmions in $\rm Fe_{3-x}GaTe_2$ using a single femtosecond laser pulse. Our results manifest the $\rm Fe_{3-x}GaTe_2$ as a promising building block for realizing skyrmion-based magneto-optical functionalities. △ Less

Submitted 21 February, 2024; originally announced February 2024.

Sliding-mediated ferroelectric phase transition in CuInP2S6 under pressure

Authors: Zhou Zhou, Jun-Jie Zhang, Gemma F. Turner, Stephen A. Moggach, Yulia Lekina, Samuel Morris, Shun Wang, Yiqi Hu, Qiankun Li, Jinshuo Xue, Zhijian Feng, Qingyu Yan, Yuyan Weng, Bin Xu, Yong Fang, Ze Xiang Shen, Liang Fang, Shuai Dong, Lu You

Abstract: Interlayer stacking order has recently emerged as a unique degree of freedom to control crystal symmetry and physical properties in two-dimensional van der Waals (vdW) materials and heterostructures. By tuning the layer stacking pattern, symmetry-breaking and electric polarization can be created in otherwise non-polar crystals, whose polarization reversal depends on the interlayer sliding motion.… ▽ More Interlayer stacking order has recently emerged as a unique degree of freedom to control crystal symmetry and physical properties in two-dimensional van der Waals (vdW) materials and heterostructures. By tuning the layer stacking pattern, symmetry-breaking and electric polarization can be created in otherwise non-polar crystals, whose polarization reversal depends on the interlayer sliding motion. Herein, we demonstrate that in a vdW layered ferroelectric, its existing polarization is closely coupled to the interlayer sliding driven by hydrostatic pressure. Through combined structural, electrical, vibrational characterizations, and theoretical calculations, we clearly map out the structural evolution of CuInP2S6 under pressure. A tendency towards a high polarization state is observed in the low-pressure region, followed by an interlayer-sliding-mediated phase transition from a monoclinic to a trigonal phase. Along the transformation pathway, the displacive-instable Cu ion serves as a pivot point that regulates the interlayer interaction in response to external pressure. The rich phase diagram of CuInP2S6, which is enabled by stacking orders, sheds light on the physics of vdW ferroelectricity and opens an alternative route to tailoring long-range order in vdW layered crystals. △ Less

Submitted 21 February, 2024; originally announced February 2024.

Comments: 22 pages, 4 figures

Journal ref: Applied Physics Reviews 11, 011414 (2024)

Decoupled few-femtosecond phase transitions in vanadium dioxide

Authors: Christian Brahms, Lin Zhang, Xiao Shen, Utso Bhattacharya, Maria Recasens, Johann Osmond, Tobias Grass, Ravindra W. Chhajlany, Kent A. Hallman, Richard F. Haglund, Sokrates T. Pantelides, Maciej Lewenstein, John C. Travers, Allan S. Johnson

Abstract: The nature of the insulator-to-metal phase transition in vanadium dioxide (VO2) is one of the longest-standing problems in condensed-matter physics. Ultrafast spectroscopy has long promised to determine whether the transition is primarily driven by the electronic or structural degree of freedom, but measurements to date have been stymied by their sensitivity to only one of these components and/or… ▽ More The nature of the insulator-to-metal phase transition in vanadium dioxide (VO2) is one of the longest-standing problems in condensed-matter physics. Ultrafast spectroscopy has long promised to determine whether the transition is primarily driven by the electronic or structural degree of freedom, but measurements to date have been stymied by their sensitivity to only one of these components and/or their limited temporal resolution. Here we use ultra-broadband few-femtosecond pump-probe spectroscopy to resolve the electronic and structural phase transitions in VO2 at their fundamental time scales. We find that the system transforms into a bad-metallic phase within 10 fs after photoexcitation, but requires another 100 fs to complete the transition, during which we observe electronic oscillations and a partial re-opening of the bandgap, signalling a transient semi-metallic state. Comparisons with tensor-network simulations and density-functional theory calculations show these features originate from oscillations around the equilibrium high-symmetry atomic positions during an unprecedentedly fast structural transition, in which the vanadium dimers separate and untwist with two different timescales. Our results resolve the complete structural and electronic nature of the light-induced phase transition in VO2 and establish ultra-broadband few-femtosecond spectroscopy as a powerful new tool for studying quantum materials out of equilibrium. △ Less

Submitted 5 February, 2024; v1 submitted 2 February, 2024; originally announced February 2024.

Comments: 20 pages, 12 figures

Journal ref: Nat Commun 16, 3714 (2025)