Showing 1–50 of 62 results for author: Tao, Y

TRACE: Transition-Aware Residual Control for Multi-Objective Materials Discovery

Authors: Kang Zhou, Yujia Tong, Yong Tao, Jingling Yuan

Abstract: Multi-objective materials discovery with LLM agents is often limited not only by how many candidates can be proposed, but by how effectively each costly property evaluation informs the next search step. Existing agents mainly store evaluated candidates and their scores, so they know which materials succeeded but not which executable edits caused useful property changes. This makes local refinement… ▽ More Multi-objective materials discovery with LLM agents is often limited not only by how many candidates can be proposed, but by how effectively each costly property evaluation informs the next search step. Existing agents mainly store evaluated candidates and their scores, so they know which materials succeeded but not which executable edits caused useful property changes. This makes local refinement difficult when objectives compete and an edit that improves one property may damage another. We propose TRACE, a transition-aware residual control framework that treats evaluated edits as the basic unit of feedback. TRACE records each local refinement as a parent-edit-child transition with observed property deltas, aggregates transition evidence to estimate reusable edit effects, and ranks future edits by their predicted ability to reduce the current candidate's remaining constraint violations while avoiding damage to already satisfied objectives. In a controlled same-backbone comparison, TRACE improves over LLEMA, the state-of-the-art LLM-agent baseline, raising macro-average hit rate from 18.13\% to 25.96\%. △ Less

Submitted 23 August, 2026; originally announced August 2026.

Amorphous and Nanocrystalline Topological Semimetal YPtBi/W/CoFeB Heterostructures for BEOL-Compatible Spin-Orbit Torque Devices

Authors: Quang Le, Brian R. York, Cherngye Hwang, Xiaoyong Liu, Tsann Lin, Xiaoyu Xu, Yudi Wang, Jia Li, Mazin Osman, Katherine Le, Maher Osman, Son Le, Lei Xu, Maki Maeda, Tuo Fan, Yu Tao, Hisashi Takano, Sho Kagami, Ohiro Fujie, Pham Nam Hai

Abstract: Spin-orbit torque (SOT) devices require spin-source materials that combine efficient charge-to-spin conversion with back-end-of-line (BEOL) thermal compatibility. Here, we show that YPtBi/W/CoFeB heterostructures deposited directly on Si/SiOx remain predominantly amorphous or weakly nanocrystalline from room temperature to 400 °C while preserving a large effective damping-like SOT response. Anomal… ▽ More Spin-orbit torque (SOT) devices require spin-source materials that combine efficient charge-to-spin conversion with back-end-of-line (BEOL) thermal compatibility. Here, we show that YPtBi/W/CoFeB heterostructures deposited directly on Si/SiOx remain predominantly amorphous or weakly nanocrystalline from room temperature to 400 °C while preserving a large effective damping-like SOT response. Anomalous Hall and harmonic Hall measurements, together with X-ray diffraction, cross-sectional transmission electron microscopy, X-ray reflectivity, and electron energy-loss spectroscopy, show that the response does not correlate with bulk crystallization of YPtBi. Instead, the interfacial analysis indicates that the strongest trend of the spin Hall angle is associated with the chemistry of the upper YPtBi/W boundary: the effective SOT response tracks the integrated W concentration at that YPtBi surface. Meanwhile, a two-spin source analysis shows that the Pt-W-rich interlayer provides only a small positive correction, insufficient to explain the large negative effective spin Hall angle by itself. The dominant control variable is therefore inferred to be the incorporation of W into the upper YPtBi interface, which plausibly modifies the local electronic structure of YPtBi and amplifies the stack-level response. These results provide a more physically constrained interpretation of the stack behavior and identify a BEOL-compatible route to disordered topological spin-source layers for scaled SOT memory and compute-in-memory hardware. △ Less

Submitted 20 August, 2026; originally announced August 2026.

Magnetotransport evolution and nonlinear Hall effect in altermagnetic MnTe

Authors: Wei Zhou, Zhifeng Xue, Yunxing Li, Nannan Tang, Ye Tao, Dingyong Zhong, Jiawei Luo, Donghui Guo, Huichao Wang

Abstract: Hexagonal MnTe is a prototypical semiconducting altermagnet whose properties are heavily influenced by intrinsic disorder, yet how the resulting diverse transport regimes shape its magnetotransport behavior remains to be clarified alongside the role of relativistic spin-orbit coupling (SOC). Here, we present a systematic study of the anisotropic magnetoresistance (AMR), planar Hall effect (PHE), a… ▽ More Hexagonal MnTe is a prototypical semiconducting altermagnet whose properties are heavily influenced by intrinsic disorder, yet how the resulting diverse transport regimes shape its magnetotransport behavior remains to be clarified alongside the role of relativistic spin-orbit coupling (SOC). Here, we present a systematic study of the anisotropic magnetoresistance (AMR), planar Hall effect (PHE), and nonlinear transport in MnTe bulk single crystals. Below the Néel temperature (TN ~ 304 K), the emergence of high-order harmonics in AMR and PHE within the high-temperature metallic regime reveals the interplay of magnetic order, crystalline symmetry, and SOC. At relatively lower temperatures, the disappearance of higher-order symmetries coincides with a transport crossover into the hopping conduction regime, suggesting that carrier localization diminishes the transport sensitivity to the Fermi-surface topology. In addition, we detect distinct second-order nonlinear Hall signals, providing evidence for a macroscopic inversion-asymmetric response in altermagnetic MnTe. Extending the investigations into the localized regime provides key insights into the subtle role of disorder and SOC in macroscopic charge transport. Our work thus underscores the necessity of exploring magnetotransport across diverse conducting regimes to comprehensively understand altermagnetic properties. △ Less

Submitted 10 August, 2026; originally announced August 2026.

Journal ref: Frontiers of Physics,2026

The superite phase and phase transition inducing multiscale solidification microstructures and segregations in steels

Authors: Xiaoping Ma, Dianzhong Li, Zhuo Zhao, Saichao Cao, Donghao Pei, Pei Wang, Yuxi Tao, Paixian Fu, Hongwei Liu, Xiuhong Kang

Abstract: Based on classical concept, solidification of alloys is a direct transition from liquid phase to solid phase, by which dendrites and dendritic segregation are produced. Through in-situ and real time morphology observation and XRD test during solidification of three steels, a new superite phase featured as statistically oriented tiny structures was identified, and a general liquid-superite-solid ph… ▽ More Based on classical concept, solidification of alloys is a direct transition from liquid phase to solid phase, by which dendrites and dendritic segregation are produced. Through in-situ and real time morphology observation and XRD test during solidification of three steels, a new superite phase featured as statistically oriented tiny structures was identified, and a general liquid-superite-solid phase transformation process is revealed. In the early solidification stage, the liquid alloys transit to dendrites composed of superite phase. Initiated from the boundaries of dendritic arms or dendrite grains, the superite phase transits to austenite grains within an initial dendritic arm, and expels solute elements to the residual superite phase. Mixed multi-phase microstructures are subsequently produced from the residual enriched superite phase. Here, although three steels exhibit different phase proportion and phase constitution in the superite-solid transition, they all follow above general transition mode. Multiscale microstructures and segregations are produced in the transition from superite to solid. These new findings change the basic understanding about the solidification of alloys, rediscover the formation mechanism on segregations and multiscale solidification microstructures, including dendrite pattern, solid dendritic arm, dendritic segregation, the mixed multi-phase microstructures, eutectic, inclusions and precipitate. These new findings are also crucial to the control of solidification microstructures and segregation in metals. △ Less

Submitted 8 May, 2026; originally announced May 2026.

Optical transport of cold atoms to quantum degeneracy

Authors: Yanqing Tao, Yufei Wang, Ligeng Yu, Bo Song

Abstract: Efficient transport of cold atoms is essential for continuous operation, enabling applications ranging from atomic lasers to continuously operated qubits. However, deep potentials required to overcome vibrations, axial trap nonuniformity and insufficient cooling have limited transport of cold atoms near quantum degeneracy. Here we demonstrate rapid optical transport of cold atoms to Bose-Einstein… ▽ More Efficient transport of cold atoms is essential for continuous operation, enabling applications ranging from atomic lasers to continuously operated qubits. However, deep potentials required to overcome vibrations, axial trap nonuniformity and insufficient cooling have limited transport of cold atoms near quantum degeneracy. Here we demonstrate rapid optical transport of cold atoms to Bose-Einstein condensation using a moving optical lattice formed by two Bessel beams. A gas of $3 \times 10^5$ ytterbium atoms at a temperature of $340\,$nK is transported over $34\,$cm in $350\,$ms with efficiency over $60\%$. Furthermore, a degenerate gas of $1 \times 10^5$ atoms with a $40\%$ condensate fraction emerges from the phase synchronization process driven by atomic interactions. This demonstration enables the fast preparation of ultracold atomic beams and large-scale atom arrays for quantum sensing, simulation and computing. △ Less

Submitted 15 February, 2026; originally announced February 2026.

Comments: 10 pages, 10 figures

Observation of topological phases without crystalline counterparts

Authors: Mou Yan, Yu-Liang Tao, Yichong Hu, Zhenxing Cui, Jiong-Hao Wang, Gang Chen, Yong Xu

Abstract: Topological phases have been extensively studied primarily in crystalline systems with translational symmetry. Recent theoretical studies, however, have demonstrated the existence of topological phases in quasicrystals that are absent in crystals. Despite numerous experimental observations of topological phases in various crystalline systems, observing these phases without crystalline counterparts… ▽ More Topological phases have been extensively studied primarily in crystalline systems with translational symmetry. Recent theoretical studies, however, have demonstrated the existence of topological phases in quasicrystals that are absent in crystals. Despite numerous experimental observations of topological phases in various crystalline systems, observing these phases without crystalline counterparts remains challenging due to very complex models. Here, we design a practically realizable tight-binding model with nearest-neighbor hopping on the Ammann-Beenker quasicrystalline lattice. This model respects eight-fold rotational and chiral symmetries, resulting in a higher-order topological phase with eight zero-energy corner modes that have no crystalline counterparts. We experimentally explore the topological phase in an acoustic quasicrystal. Surprisingly, we also discover symmetry-protected zero-energy modes near the center of the quasicrystal in a topologically trivial phase, a phenomenon not seen in crystals. We further experimentally observe these modes in a topologically trivial acoustic quasicrystal. Our work represents the first experimental observation of topological phases in quasicrystals without crystalline counterparts, paving the way for the study of exotic topological physics in quasicrystals. △ Less

Submitted 23 November, 2025; originally announced November 2025.

Comments: 9+9 pages, 5+13 figures

Quantized Thouless Pumping of Dark Solitons

Authors: Yu-Liang Tao, Huaxin He, Hao Lyu, Yongping Zhang, Yong Xu

Abstract: Nonlinearity enables the emergence of localized waves such as solitons that maintain their shapes during propagation. Solitons are broadly classified into bright and dark solitons. While a bright soliton exhibits a density peak, a dark soliton presents as a defect on a continuous wave background. A distinctive feature of dark solitons is the abrupt phase change in their wave function, which can ho… ▽ More Nonlinearity enables the emergence of localized waves such as solitons that maintain their shapes during propagation. Solitons are broadly classified into bright and dark solitons. While a bright soliton exhibits a density peak, a dark soliton presents as a defect on a continuous wave background. A distinctive feature of dark solitons is the abrupt phase change in their wave function, which can host Majorana zero modes in topological fermionic superfluids. Recent studies have shown that bright solitons can undergo quantized transport through Thouless pumping, where the bright soliton functions as a Wannier function. However, it remains unclear whether Thouless pumping can also occur for dark solitons, which fundamentally differ from bright solitons. Here, we theoretically demonstrate the occurrence of both integer and fractional Thouless pumping for dark solitons within both a continuous model under optical lattices and a tight-binding model. Specifically, we find that a dark soliton is transported by one or half a unit cell, following the center-of-mass position of a Wannier function, as a system parameter is slowly varied over one cycle. Our work opens new avenues for exploring Thouless pumping for defects with phase changes, such as dark solitons, vortex solitons, ring dark solitons, and vortices. △ Less

Submitted 9 August, 2025; originally announced August 2025.

Comments: 6+6 pages, 3+6 figures

Dual Optical Hyperbolicity of PdCoO$_2$ and PdCrO$_2$ Delafossite Single Crystals

Authors: Salvatore Macis, Annalisa DArco, Eugenio Del Re, Lorenzo Mosesso, Maria Chiara Paolozzi, Vincenzo Stagno, Alexander McLeod, Yu Tao, Pahuni Jain, Yi Zhang, Fred Tutt, Marco Centini, Maria Cristina Larciprete, Chris Leighton, Stefano Lupi

Abstract: Hyperbolic materials exhibit a very peculiar optical anisotropy with simultaneously different signs of the dielectric tensor components. This anisotropy allows the propagation of exotic surface-wave excitations like hyperbolic phonons and plasmon polaritons. While hyperbolic materials hold promise for applications in subwavelength photonics and enhanced light-matter interactions, their natural occ… ▽ More Hyperbolic materials exhibit a very peculiar optical anisotropy with simultaneously different signs of the dielectric tensor components. This anisotropy allows the propagation of exotic surface-wave excitations like hyperbolic phonons and plasmon polaritons. While hyperbolic materials hold promise for applications in subwavelength photonics and enhanced light-matter interactions, their natural occurrence is limited to few materials, often accompanied by significant dielectric losses and limited hyperbolic spectral bandwidth. Focusing on PdCoO$_2$ and PdCrO$_2$ delafossite transition-metal oxides, in this paper we demonstrate their unique dual hyperbolic regimes: one localized around a phonon absorption in the mid-infrared spectral region, and the other extending into the visible range. Both hyperbolic regimes show exceptional properties including low dissipation and high hyperbolic quality factors. These results pave the way for innovative applications of delafossite layered metals in subwavelength photonics, imaging, and sensing. △ Less

Submitted 4 March, 2025; originally announced March 2025.

Nonlinearity-induced Fractional Thouless Pumping of Solitons

Authors: Yu-Liang Tao, Yongping Zhang, Yong Xu

Abstract: Recent studies have shown that a soliton can be {\it fractionally} transported by slowly varying a system parameter over one period in a nonlinear system. This phenomenon is attributed to the nontrivial topology of the corresponding energy bands of a linear Hamiltonian. Here we find the occurrence of fractional Thouless pumping of solitons in a nonlinear off-diagonal Aubry-André-Harper model. Surp… ▽ More Recent studies have shown that a soliton can be {\it fractionally} transported by slowly varying a system parameter over one period in a nonlinear system. This phenomenon is attributed to the nontrivial topology of the corresponding energy bands of a linear Hamiltonian. Here we find the occurrence of fractional Thouless pumping of solitons in a nonlinear off-diagonal Aubry-André-Harper model. Surprisingly, this happens despite the fact that all the energy bands of the linear Hamiltonian are topologically trivial, indicating that nonlinearity can induce fractional Thouless pumping of solitons. Specifically, our results show that a soliton can be pumped across one unit cell over one, two, three or four pump periods, implying an average displacement of $1$, $1/2$, $1/3$ or $1/4$ unit cells per cycle, respectively. We attribute these behaviors to changes in on-site potentials induced by a soliton solution, leading to the nontrivial topology for the modified linear Hamiltonian. Given that our model relies solely on varying nearest-neighbor hoppings, it is readily implementable on existing state-of-the-art photonic platforms. △ Less

Submitted 9 February, 2025; originally announced February 2025.

Comments: 5+3 pages, 4+1 figures

Journal ref: Phys. Rev. Lett. 135, 097202 (2025)

Direct observation of topological magnon edge states

Authors: Jihai Zhang, Meng-Han Zhang, Peigen Li, Zizhao Liu, Ye Tao, Hongkun Wang, Dao-Xin Yao, Donghui Guo, Dingyong Zhong

Abstract: Magnon Chern insulators (MCIs) exhibit unique topological magnon band structures featuring chiral edge states. Direct observations of the topologically protected magnon edge states have long been pursued. Here, we report the spatially resolved detection of magnon edge states in a two-dimensional ferromagnet with honeycomb lattice (single-layer chromium triiodide). Using scanning tunneling microsco… ▽ More Magnon Chern insulators (MCIs) exhibit unique topological magnon band structures featuring chiral edge states. Direct observations of the topologically protected magnon edge states have long been pursued. Here, we report the spatially resolved detection of magnon edge states in a two-dimensional ferromagnet with honeycomb lattice (single-layer chromium triiodide). Using scanning tunneling microscopy, we observed magnon-assisted inelastic tunneling conductance and revealed the gapped magnon spectra with enhanced signals at the van Hove singularities. Extra tunneling conductance contributed from the magnon edge states was detected at three different edge configurations. Our work provided direct evidence proving the existence of MCI states down to the single-layer limit, initiating spatially-resolved explorations on exotic properties arising from topological edge states of MCIs. △ Less

Submitted 24 October, 2024; originally announced October 2024.

Anomalous quantized nonlinear soliton pumping

Authors: Yu-Liang Tao, Jiong-Hao Wang, Yong Xu

Abstract: It has recently been theoretically predicted and experimentally observed that a soliton resulting from nonlinearity can be pumped across an integer or fractional number of unit cells as a system parameter is slowly varied over a pump period. Nonlinear soliton pumping is now understood as the flow of instantaneous Wannier functions, ruling out the possibility of pumping a soliton across a nonzero n… ▽ More It has recently been theoretically predicted and experimentally observed that a soliton resulting from nonlinearity can be pumped across an integer or fractional number of unit cells as a system parameter is slowly varied over a pump period. Nonlinear soliton pumping is now understood as the flow of instantaneous Wannier functions, ruling out the possibility of pumping a soliton across a nonzero number of unit cells over one cycle when a corresponding Wannier function does not exhibit any flow, i.e., when the corresponding Bloch band that the soliton bifurcates from is topologically trivial. Here we surprisingly find an anomalous nonlinear soliton pump where the displacement of a soliton over one cycle differs from the Chern number of the Bloch band from which the soliton comes. We show that this anomalous behavior arises from a transition of a soliton between different Wannier functions by passing through an intersite-soliton (or dipole-soliton) state. Furthermore, we find a nonlinearity-induced integer quantized pump of a soliton, allowing a soliton to travel across one unit cell during a pump period, even when the corresponding band is topologically trivial. Our results open the door to studying nonlinearity-induced pumping of solitons. △ Less

Submitted 18 June, 2026; v1 submitted 28 September, 2024; originally announced September 2024.

Comments: 9+11 pages, 6+8 figures. Accepted for publication in Nature Communications

Revealing mechanism of pore defect formation in laser directed energy deposition of aluminum alloy via in-situ synchrotron X-ray imaging

Authors: Wei Liu, Yuxiao Li, Chunxia Yao, Dongsheng Zhang, Darui Sun, Sen Chen, Yu Wu, Jun Wang, Lei Lud, Sheng-Nian Luo, Ye Tao, Bingbing Zhang

Abstract: Laser metal additive manufacturing technology is capable of producing components with complex geometries and compositions that cannot be realized by conventional manufacturing methods. However, a large number of pores generated during the additive manufacturing process greatly affect the mechanical properties of the additively manufactured parts, and the mechanism of such pore generation has not b… ▽ More Laser metal additive manufacturing technology is capable of producing components with complex geometries and compositions that cannot be realized by conventional manufacturing methods. However, a large number of pores generated during the additive manufacturing process greatly affect the mechanical properties of the additively manufactured parts, and the mechanism of such pore generation has not been revealed by direct observation clearly. Here, we report the mechanism of pore generation in the laser direct energy deposition process as revealed by {\it in-situ} high-speed high-resolution synchrotron X-ray imaging. We found that dissolution and re-precipitation of external gases and precipitation of metal vapors are the two main mechanisms of pore formation. We further explored the effects of different process parameters on the generation of pores and optimized the process to suppress pore generation. This work provides important insights into the formation of porosity defects during laser metal additive manufacturing, and can provide guidance for related process optimization. △ Less

Submitted 10 April, 2024; originally announced April 2024.

Comments: 7 figures

Superconducting quantum criticality and the anomalous scaling: A nonlinear relativistic equation

Authors: Yong Tao

Abstract: By using the Landau-Ginzburg-Wilson paradigm, we show that, near a quantum critical point (QCP), Cooper pairs at zero temperature would obey a nonlinear relativistic equation, where the imaginary time emerges as a novel dimension. This relativistic equation is applicable to certain superconductors at zero temperature for which the Faber-Pippard coherence length formula holds at and above the upper… ▽ More By using the Landau-Ginzburg-Wilson paradigm, we show that, near a quantum critical point (QCP), Cooper pairs at zero temperature would obey a nonlinear relativistic equation, where the imaginary time emerges as a novel dimension. This relativistic equation is applicable to certain superconductors at zero temperature for which the Faber-Pippard coherence length formula holds at and above the upper critical dimension. Here, we further show that the relativistic equation leads to a testable prediction in the vicinity of the QCP $T_c=0$, with $T_c$ being the transition temperature. That is, for 2D overdoped (clean) superconducting films, when the parameter $T_c/(c_0v_F)$ is lower than a characteristic scale, the Lorentz symmetry of relativistic equation arouses an anomalous scaling $ξ_0 \propto T_c^{-1.34}$, where $ξ_0$ denotes the zero-temperature coherence length, $v_F$ denotes the Fermi velocity, and $c_0$ denotes the Faber-Pippard coefficient. However, when the parameter $T_c/(c_0v_F)$ is large enough, the Lorentz symmetry may be broken so that the Faber-Pippard scaling $ξ_0 \propto T_c^{-1}$ is restored. △ Less

Submitted 10 December, 2023; originally announced December 2023.

Journal ref: Physica C 616 (2024) 1354424

Electric-filed tuned anomalous valley Hall effect in A-type hexagonal antiferromagnetic monolayer

Authors: San-Dong Guo, Yu-Ling Tao, Zi-Yang Zhuo, Gangqiang Zhu, Yee Sin Ang

Abstract: The combination of antiferromagnetic (AFM) spintronics and anomalous valley Hall effect (AVHE) is of great significance for potential applications in valleytronics. Here, we propose a design principle for achieving AVHE in A-type hexagonal AFM monolayer. The design principle involves the introduction of layer-dependent electrostatic potential caused by out-of-plane external electric field, which c… ▽ More The combination of antiferromagnetic (AFM) spintronics and anomalous valley Hall effect (AVHE) is of great significance for potential applications in valleytronics. Here, we propose a design principle for achieving AVHE in A-type hexagonal AFM monolayer. The design principle involves the introduction of layer-dependent electrostatic potential caused by out-of-plane external electric field, which can break the combined symmetry ($PT$ symmetry) of spatial inversion ($P$) and time reversal ($T$), producing spin splitting. The spin order of spin splitting can be reversed by regulating the direction of electric field. Based on first-principles calculations, the design principle can be verified in AFM $\mathrm{Cr_2CH_2}$. The layer-locked hidden Berry curvature can give rise to layer-Hall effect, including valley layer-spin Hall effect and layer-locked AVHE. Our works provide an experimentally feasible way to realize AVHE in AFM monolayer. △ Less

Submitted 12 December, 2023; originally announced December 2023.

Comments: 5 pages,6 figures

Proton and molecular permeation through the basal plane of monolayer graphene oxide

Authors: Z. F. Wu, P. Z. Sun, O. J. Wahab, Y. -T. Tao, D. Barry, D. Periyanagounder, P. B. Pillai, Q. Dai, W. Q. Xiong, L. F. Vega, K. Lulla, S. J. Yuan, R. R. Nair, E. Daviddi, P. R. Unwin, A. K. Geim, M. Lozada-Hidalgo

Abstract: Two-dimensional (2D) materials offer a prospect of membranes that combine negligible gas permeability with high proton conductivity and could outperform the existing proton exchange membranes used in various applications including fuel cells. Graphene oxide (GO), a well-known 2D material, facilitates rapid proton transport along its basal plane but proton conductivity across it remains unknown. It… ▽ More Two-dimensional (2D) materials offer a prospect of membranes that combine negligible gas permeability with high proton conductivity and could outperform the existing proton exchange membranes used in various applications including fuel cells. Graphene oxide (GO), a well-known 2D material, facilitates rapid proton transport along its basal plane but proton conductivity across it remains unknown. It is also often presumed that individual GO monolayers contain a large density of nanoscale pinholes that lead to considerable gas leakage across the GO basal plane. Here we show that relatively large, micrometer-scale areas of monolayer GO are impermeable to gases, including helium, while exhibiting proton conductivity through the basal plane which is nearly two orders of magnitude higher than that of graphene. These findings provide insights into the key properties of GO and demonstrate that chemical functionalization of 2D crystals can be utilized to enhance their proton transparency without compromising gas impermeability. △ Less

Submitted 25 October, 2023; originally announced October 2023.

Report number: 14, 7756 (2023)

Journal ref: Nature Communications 2023

Crystal-Chemical Origins of the Ultrahigh Conductivity of Metallic Delafossites

Authors: Yi Zhang, Fred Tutt, Guy N. Evans, Prachi Sharma, Greg Haugstad, Ben Kaiser, Justin Ramberger, Samuel Bayliff, Yu Tao, Mike Manno, Javier Garcia-Barriocanal, Vipul Chaturvedi, Rafael M. Fernandes, Turan Birol, William E. Seyfried Jr., Chris Leighton

Abstract: Despite their highly anisotropic complex-oxidic nature, certain delafossite compounds (e.g., PdCoO2, PtCoO2) are the most conductive oxides known, for reasons that remain poorly understood. Their room-temperature conductivity can exceed that of Au, while their low-temperature electronic mean-free-paths reach an astonishing 20 microns. It is widely accepted that these materials must be ultrapure to… ▽ More Despite their highly anisotropic complex-oxidic nature, certain delafossite compounds (e.g., PdCoO2, PtCoO2) are the most conductive oxides known, for reasons that remain poorly understood. Their room-temperature conductivity can exceed that of Au, while their low-temperature electronic mean-free-paths reach an astonishing 20 microns. It is widely accepted that these materials must be ultrapure to achieve this, although the methods for their growth (which produce only small crystals) are not typically capable of such. Here, we first report a new approach to PdCoO2 crystal growth, using chemical vapor transport methods to achieve order-of-magnitude gains in size, the highest structural qualities yet reported, and record residual resistivity ratios (>440). Nevertheless, the first detailed mass spectrometry measurements on these materials reveal that they are not ultrapure, typically harboring 100s-of-parts-per-million impurity levels. Through quantitative crystal-chemical analyses, we resolve this apparent dichotomy, showing that the vast majority of impurities are forced to reside in the Co-O octahedral layers, leaving the conductive Pd sheets highly pure (~1 ppm impurity concentrations). These purities are shown to be in quantitative agreement with measured residual resistivities. We thus conclude that a previously unconsidered "sublattice purification" mechanism is essential to the ultrahigh low-temperature conductivity and mean-free-path of metallic delafossites. △ Less

Submitted 7 September, 2023; v1 submitted 27 August, 2023; originally announced August 2023.

Higher-order Topological Insulators and Semimetals in Three Dimensions without Crystalline Counterparts

Authors: Yu-Feng Mao, Yu-Liang Tao, Jiong-Hao Wang, Qi-Bo Zeng, Yong Xu

Abstract: Quasicrystals allow for symmetries that are impossible in crystalline materials, such as eight-fold rotational symmetry, enabling the existence of novel higher-order topological insulators in two dimensions without crystalline counterparts. However, it remains an open question whether three-dimensional higher-order topological insulators and Weyl-like semimetals without crystalline counterparts ca… ▽ More Quasicrystals allow for symmetries that are impossible in crystalline materials, such as eight-fold rotational symmetry, enabling the existence of novel higher-order topological insulators in two dimensions without crystalline counterparts. However, it remains an open question whether three-dimensional higher-order topological insulators and Weyl-like semimetals without crystalline counterparts can exist. Here, we demonstrate the existence of a second-order topological insulator by constructing and exploring a three-dimensional model Hamiltonian in a stack of Ammann-Beenker tiling quasicrystalline lattices. The topological phase has eight chiral hinge modes that lead to quantized longitudinal conductances of $4 e^2/h$. We show that the topological phase is characterized by the winding number of the quadrupole moment. We further establish the existence of a second-order topological insulator with time-reversal symmetry, characterized by a $\mathbb{Z}_2$ topological invariant. Finally, we propose a model that exhibits a higher-order Weyl-like semimetal phase, demonstrating both hinge and surface Fermi arcs. Our findings highlight that quasicrystals in three dimensions can give rise to higher-order topological insulators and semimetal phases that are unattainable in crystals. △ Less

Submitted 18 October, 2023; v1 submitted 27 July, 2023; originally announced July 2023.

Comments: 7 pages, 6 figures

Journal ref: Phys. Rev. B 109, 134205 (2024)

Quadrupole Insulator without Corner States in the Energy Spectrum

Authors: Yu-Liang Tao, Jiong-Hao Wang, Yong Xu

Abstract: The quadrupole insulator is a well-known instance of higher-order topological insulators in two dimensions, which possesses midgap corner states in both the energy spectrum and entanglement spectrum. Here, by constructing and exploring a model Hamiltonian under a staggered $\mathbb{Z}_2$ gauge field that respects momentum-glide reflection symmetries, we surprisingly find a quadrupole insulator tha… ▽ More The quadrupole insulator is a well-known instance of higher-order topological insulators in two dimensions, which possesses midgap corner states in both the energy spectrum and entanglement spectrum. Here, by constructing and exploring a model Hamiltonian under a staggered $\mathbb{Z}_2$ gauge field that respects momentum-glide reflection symmetries, we surprisingly find a quadrupole insulator that lacks zero-energy corner modes in its energy spectrum, despite possessing a nonzero quadrupole moment. Remarkably, the existence of midgap corner modes is found in the entanglement spectrum. Since these midgap states cannot be continuously eliminated, the quadrupole insulator cannot be continuously transformed into a trivial topological insulator, thereby confirming its topological nature. We show that the breakdown of the correspondence between the energy spectrum and entanglement spectrum occurs due to the closure of the edge energy gap when the Hamiltonian is flattened. Finally, we present a model that demonstrates an insulator with corner modes in the energy spectrum even in the absence of the quadrupole moment. In this phase, the entanglement spectrum does not display any midgap states. The results suggest that the bulk-edge correspondence of quadrupole insulators generally manifests in the entanglement spectrum rather than the energy spectrum. △ Less

Submitted 2 July, 2023; originally announced July 2023.

Comments: 7 pages, 5 figures

Average Symmetry Protected Higher-order Topological Amorphous Insulators

Authors: Yu-Liang Tao, Jiong-Hao Wang, Yong Xu

Abstract: While topological phases have been extensively studied in amorphous systems in recent years, it remains unclear whether the random nature of amorphous materials can give rise to higher-order topological phases that have no crystalline counterparts. Here we theoretically demonstrate the existence of higher-order topological insulators in two-dimensional amorphous systems that can host more than six… ▽ More While topological phases have been extensively studied in amorphous systems in recent years, it remains unclear whether the random nature of amorphous materials can give rise to higher-order topological phases that have no crystalline counterparts. Here we theoretically demonstrate the existence of higher-order topological insulators in two-dimensional amorphous systems that can host more than six corner modes, such as eight or twelve corner modes. Although individual sample configuration lacks crystalline symmetry, we find that an ensemble of all configurations exhibits an average crystalline symmetry that provides protection for the new topological phases. To characterize the topological phases, we construct two topological invariants. Even though the bulk energy gap in the topological phase vanishes in the thermodynamic limit, we show that the bulk states near zero energy are localized, as supported by the level-spacing statistics and inverse participation ratio. Our findings open an avenue for exploring average symmetry protected higher-order topological phases in amorphous systems without crystalline counterparts. △ Less

Submitted 20 October, 2023; v1 submitted 3 June, 2023; originally announced June 2023.

Comments: 17 pages, 7 figures

Journal ref: SciPost Phys. 15, 193 (2023)

Higher-order Klein bottle topological insulator in three-dimensional acoustic crystals

Authors: Yu-Liang Tao, Mou Yan, Mian Peng, Qiang Wei, Zhenxing Cui, Shengyuan A. Yang, Gang Chen, Yong Xu

Abstract: Topological phases of matter are classified based on symmetries, with nonsymmorphic symmetries like glide reflections and screw rotations being of particular importance in the classification. In contrast to extensively studied glide reflections in real space, introducing space-dependent gauge transformations can lead to momentum-space glide reflection symmetries, which may even change the fundamen… ▽ More Topological phases of matter are classified based on symmetries, with nonsymmorphic symmetries like glide reflections and screw rotations being of particular importance in the classification. In contrast to extensively studied glide reflections in real space, introducing space-dependent gauge transformations can lead to momentum-space glide reflection symmetries, which may even change the fundamental domain for topological classifications, e.g., from a torus to a Klein bottle. Here we discover a new class of three-dimensional (3D) higher-order topological insulators, protected by a pair of momentum-space glide reflections. It supports gapless hinge modes, as dictated by the quadrupole moment and Wannier Hamiltonians defined on a Klein bottle manifold, and we introduce two topological invariants to characterize this phase. Our predicted topological hinge modes are experimentally verified in a 3D-printed acoustic crystal, providing direct evidence for 3D higher-order Klein bottle topological insulators. Our results not only showcase the remarkable role of momentum-space glide reflections in topological classifications, but also pave the way for experimentally exploring physical effects arising from momentum-space nonsymmorphic symmetries. △ Less

Submitted 13 March, 2024; v1 submitted 16 May, 2023; originally announced May 2023.

Comments: 37 pages, 14 figures

Journal ref: Phys. Rev. B 109, 134107 (2024)

Investigating the magneto-elastic properties in FeSn and Fe$_{3}$Sn$_{2}$ flat band metals

Authors: Yu Tao, Luke Daemen, Yongqiang Cheng, Joerg C. Neuefeind, Despina Louca

Abstract: Topological quantum magnets FeSn and Fe$_{3}$Sn$_{2}$ were studied using neutron scattering and first-principles calculations. Both materials are metallic but host dispersionless flat bands with Dirac nodes at the $K$ point in reciprocal space. The local structure determined from the pair density function analysis of the neutron diffraction data provided no evidence for electron localization in bo… ▽ More Topological quantum magnets FeSn and Fe$_{3}$Sn$_{2}$ were studied using neutron scattering and first-principles calculations. Both materials are metallic but host dispersionless flat bands with Dirac nodes at the $K$ point in reciprocal space. The local structure determined from the pair density function analysis of the neutron diffraction data provided no evidence for electron localization in both compounds, consistent with their metallic nature. At the same time, in FeSn, an anomalous suppression in the $c$-axis lattice constant coupled with changes in the phonon spectra were observed across T$_{N}$ indicating the presence of magneto-elastic coupling and spin-phonon interactions. In addition, it was observed that spin waves persisted well above T$_{N}$, suggesting that the in-plane ferromagnetic spin correlations survive at high temperatures. In contrast, no lattice anomaly was observed in Fe$_{3}$Sn$_{2}$. The inelastic signal could be mostly accounted for by phonons, determined from density functional theory, showing typical softening on warming. △ Less

Submitted 17 January, 2023; originally announced January 2023.

Comments: 10 pages, 7 figures

Proposal for valleytronic materials: ferrovalley metal and valley gapless semiconductor

Authors: San-Dong Guo, Yu-Ling Tao, Guang-Zhao Wang, Shaobo Chen, Yee Sin Ang

Abstract: Valleytronic materials can provide new degrees of freedom to future electronic devices. In this work, the concepts of the ferrovalley metal (FVM) and valley gapless semiconductor (VGS) are proposed, which can be achieved in valleytronic bilayer systems by electric-field tuning, where the interaction between out-of-plane ferroelectricity and A-type antiferromagnetism can induce layer-polarized anom… ▽ More Valleytronic materials can provide new degrees of freedom to future electronic devices. In this work, the concepts of the ferrovalley metal (FVM) and valley gapless semiconductor (VGS) are proposed, which can be achieved in valleytronic bilayer systems by electric-field tuning, where the interaction between out-of-plane ferroelectricity and A-type antiferromagnetism can induce layer-polarized anomalous valley Hall (LP-AVH) effect. The K and -K valleys of FVM are both metallic, and electron and hole carriers simultaneously exist. In the extreme case, the FVM can become VGS by analogizing spin gapless semiconductor (SGS). Moreover, it is proposed that the valley splitting enhancement and valley polarization reversal can be achieved by electric field in valleytronic bilayer systems. Taking the bilayer $\mathrm{RuBr_2}$ as an example, our proposal is confirmed by the first-principle calculations. The FVM and VGS can be achieved in bilayer $\mathrm{RuBr_2}$ by applying electric field. With appropriate electric field range, increasing electric field can enhance valley splitting, and the valley polarization can be reversed by flipping electric field direction. To effectively tune valley properties by electric field in bilayer systems, the parent monolayer should possess out-of-plane magnetization, and have large valley splitting. Our results shed light on the possible role of electric field in tuning valleytronic bilayer systems, and provide a way to design the ferrovalley-related material by electric field. △ Less

Submitted 6 February, 2023; v1 submitted 10 November, 2022; originally announced November 2022.

Comments: 7 pages, 7 figures

Emergence of Layer Stacking Disorder in c-axis Confined MoTe$_2$

Authors: James L Hart, Lopa Bhatt, Yanbing Zhu, Myung-Geun Han, Elisabeth Bianco, Shunran Li, David J Hynek, John A Schneeloch, Yu Tao, Despina Louca, Peijun Guo, Yimei Zhu, Felipe Jornada, Evan J Reed, Lena F Kourkoutis, Judy J Cha

Abstract: The layer stacking order in 2D materials strongly affects functional properties and holds promise for next generation electronic devices. In bulk, octahedral MoTe$_2$ possesses two stacking arrangements, the Weyl semimetal T$_d$ phase, and the higher-order topological insulator 1T' phase; however, it remains unclear if thin exfoliated flakes of MoTe$_2$ follow the T$_d$, 1T', or an alternative sta… ▽ More The layer stacking order in 2D materials strongly affects functional properties and holds promise for next generation electronic devices. In bulk, octahedral MoTe$_2$ possesses two stacking arrangements, the Weyl semimetal T$_d$ phase, and the higher-order topological insulator 1T' phase; however, it remains unclear if thin exfoliated flakes of MoTe$_2$ follow the T$_d$, 1T', or an alternative stacking sequence. Here, we resolve this debate using atomic-resolution imaging within the transmission electron microscope. We find that the layer stacking in thin flakes of MoTe$_2$ is highly disordered and pseudo-random, which we attribute to intrinsic confinement effects. Conversely, WTe$_2$, which is isostructural and isoelectronic to MoTe$_2$, displays ordered stacking even for thin exfoliated flakes. Our results are important for understanding the quantum properties of MoTe$_2$ devices, and suggest that thickness may be used to alter the layer stacking in other 2D materials. △ Less

Submitted 28 October, 2022; originally announced October 2022.

Comments: 6 figures, 2 tables

A possible electronic state quasi-half-valley-metal in $\mathrm{VGe_2P_4}$ monolayer

Authors: San-Dong Guo, Yu-Ling Tao, Zhuo-Yan Zhao, Bing Wang, Guangzhao Wang, Xiaotian Wang

Abstract: One of the key problems in valleytronics is to realize valley polarization. Ferrovalley (FV) semiconductor and half-valley-metal (HVM) have been proposed, which possess intrinsic spontaneous valley polarization. Here, we propose the concept of quasi-half-valley-metal (QHVM), including electron and hole carriers with only a type of carriers being valley polarized. The QHVM may realize separation fu… ▽ More One of the key problems in valleytronics is to realize valley polarization. Ferrovalley (FV) semiconductor and half-valley-metal (HVM) have been proposed, which possess intrinsic spontaneous valley polarization. Here, we propose the concept of quasi-half-valley-metal (QHVM), including electron and hole carriers with only a type of carriers being valley polarized. The QHVM may realize separation function of electron and hole. A concrete example of $\mathrm{VGe_2P_4}$ monolayer is used to illustrate our proposal through the first-principle calculations. To better realize QHVM, the electric field is applied to tune related valley properties of $\mathrm{VGe_2P_4}$. Within considered electric field range, $\mathrm{VGe_2P_4}$ is always ferromagnetic (FM) ground state, which possesses out-of-plane magnetization by calculating magnetic anisotropy energy (MAE) including magnetic shape anisotropy (MSA) and magnetocrystalline anisotropy (MCA) energies. These out-of-plane FM properties guarantee intrinsic spontaneous valley polarization in $\mathrm{VGe_2P_4}$. Within a certain range of electric field, the QHVM can be maintained, and the related polarization properties can be effectively tuned. Our works pave the way toward two-dimensional (2D) functional materials design of valleytronics. △ Less

Submitted 21 October, 2022; originally announced October 2022.

Comments: 8 pages, 10 figures. arXiv admin note: text overlap with arXiv:2208.02425

Higher-order Topological Hyperbolic Lattices

Authors: Yu-Liang Tao, Yong Xu

Abstract: A hyperbolic lattice allows for any $p$-fold rotational symmetry, in stark contrast to a two-dimensional crystalline material, where only twofold, threefold, fourfold or sixfold rotational symmetry is permitted. This unique feature motivates us to ask whether the enriched rotational symmetry in a hyperbolic lattice can lead to any new topological phases beyond a crystalline material. Here, by cons… ▽ More A hyperbolic lattice allows for any $p$-fold rotational symmetry, in stark contrast to a two-dimensional crystalline material, where only twofold, threefold, fourfold or sixfold rotational symmetry is permitted. This unique feature motivates us to ask whether the enriched rotational symmetry in a hyperbolic lattice can lead to any new topological phases beyond a crystalline material. Here, by constructing and exploring tight-binding models in hyperbolic lattices, we theoretically demonstrate the existence of higher-order topological phases in hyperbolic lattices with eight-fold, twelve-fold, sixteen-fold or twenty-fold rotational symmetry, which is not allowed in a crystalline lattice. Since such models respect the combination of time-reversal symmetry and $p$-fold ($p=$8, 12, 16 or 20) rotational symmetry, $p$ zero-energy corner modes are protected. For the hyperbolic \{8,3\} lattice, we find a gapped, a gapless and a reentrant gapped higher-order topological hyperbolic phases. The reentrant phase arises from finite-size effects, which open the gap of edge states while leave the gap of corner modes unchanged. Our results thus open the door to studying higher-order topological phases in hyperbolic lattices. △ Less

Submitted 16 December, 2022; v1 submitted 6 September, 2022; originally announced September 2022.

Comments: 16 pages, 18 figures

Journal ref: Phys. Rev. B 107, 184201 (2023)

Importance of magnetic shape anisotropy in determining magnetic and electronic properties of monolayer $\mathrm{VSi_2P_4}$

Authors: San-Dong Guo, Yu-Ling Tao, Kai Cheng, Bing Wang, Yee-Sin Ang

Abstract: Two-dimensional (2D) ferromagnets have been a fascinating subject of research, and magnetic anisotropy (MA) is indispensable for stabilizing the 2D magnetic order. Here, we investigate magnetic anisotropy energy (MAE), magnetic and electronic properties of $\mathrm{VSi_2P_4}$ by using the generalized gradient approximation plus $U$ (GGA+$U$) approach. For large $U$, the magnetic shape anisotropy (… ▽ More Two-dimensional (2D) ferromagnets have been a fascinating subject of research, and magnetic anisotropy (MA) is indispensable for stabilizing the 2D magnetic order. Here, we investigate magnetic anisotropy energy (MAE), magnetic and electronic properties of $\mathrm{VSi_2P_4}$ by using the generalized gradient approximation plus $U$ (GGA+$U$) approach. For large $U$, the magnetic shape anisotropy (MSA) energy has a more pronounced contribution to the MAE, which can overcome the magnetocrystalline anisotropy (MCA) energy to evince an easy-plane. For fixed out-of-plane MA, monolayer $\mathrm{VSi_2P_4}$ undergoes ferrovalley (FV), half-valley-metal (HVM), valley-polarized quantum anomalous Hall insulator (VQAHI), HVM and FV states with increasing $U$. However, for assumptive in-plane MA, there is no special quantum anomalous Hall (QAH) state and spontaneous valley polarization within considered $U$ range. According to the MAE and electronic structure with fixed out-of-plane or in-plane MA, the intrinsic phase diagram shows common magnetic semiconductor (CMS), FV and VQAHI in monolayer $\mathrm{VSi_2P_4}$. At representative $U$$=$3 eV widely used in references, $\mathrm{VSi_2P_4}$ can be regarded as a 2D-$XY$ magnet, not Ising-like 2D long-range order magnets predicted in previous works with only considering MCA energy. Our findings shed light on importance of MSA in determining magnetic and electronic properties of monolayer $\mathrm{VSi_2P_4}$. △ Less

Submitted 27 July, 2022; originally announced July 2022.

Comments: 7 pages,7 figures. arXiv admin note: text overlap with arXiv:2205.07012

Piezoelectric quantum spin Hall insulator VCClBr monolayer with pure out-of-plane piezoelectric response

Authors: San-Dong Guo, Wen-Qi Mu, Hao-Tian Guo, Yu-Ling Tao, Bang-Gui Liu

Abstract: The combination of piezoelectricity with nontrivial topological insulating phase in two-dimensional (2D) systems, namely piezoelectric quantum spin Hall insulator (PQSHI), is intriguing for exploring novel topological states toward the development of high-speed and dissipationless electronic devices. In this work, we predict a PQSHI Janus monolayer VCClBr constructed from $\mathrm{VCCl_2}$, which… ▽ More The combination of piezoelectricity with nontrivial topological insulating phase in two-dimensional (2D) systems, namely piezoelectric quantum spin Hall insulator (PQSHI), is intriguing for exploring novel topological states toward the development of high-speed and dissipationless electronic devices. In this work, we predict a PQSHI Janus monolayer VCClBr constructed from $\mathrm{VCCl_2}$, which is dynamically, mechanically and thermally stable. In the absence of spin orbital coupling (SOC), VCClBr is a narrow gap semiconductor with gap value of 57 meV, which is different from Dirac semimetal $\mathrm{VCCl_2}$. The gap of VCClBr is due to built-in electric field caused by asymmetrical upper and lower atomic layers, which is further confirmed by external-electric-field induced gap in $\mathrm{VCCl_2}$. When including SOC, the gap of VCClBr is improved to 76 meV, which is larger than the thermal energy of room temperature (25 meV). The VCClBr is a 2D topological insulator (TI), which is confirmed by $Z_2$ topological invariant and nontrivial one-dimensional edge states. It is proved that the nontrivial topological properties of VCClBr are robust against strain (biaxial and uniaxial cases) and external electric field. Due to broken horizontal mirror symmetry, only out-of-plane piezoelectric response can be observed, when biaxial or uniaxial in-plane strain is applied. The predicted piezoelectric strain coefficients $d_{31}$ and $d_{32}$ are -0.425 pm/V and -0.219 pm/V, which are higher than or compared with ones of many 2D materials. Finally, another two Janus monolayer VCFBr and VCFCl (dynamically unstable) are constructed, and they are still PQSHIs. Moreover, their $d_{31}$ and $d_{32}$ are higher than ones of VCClBr, and the $d_{31}$ (absolute value) of VCFBr is larger than one. △ Less

Submitted 4 June, 2022; originally announced June 2022.

Comments: 10 pages, 12 figures

Strong Neel ordering and luminescence correlation in a two-dimensional antiferromagnet

Authors: Yongheng Zhou, Kaiyue He, Huamin Hu, Gang Ouyang, Chao Zhu, Wei Wang, Sichen Qin, Ye Tao, Runfeng Chen, Le Zhang, Run Shi, Chun Cheng, Han Wang, Yanjun Liu, Zheng Liu, Taihong Wang, Wei Huang, Lin Wang, Xiaolong Chen

Abstract: Magneto-optical effect has been widely used in light modulation, optical sensing and information storage. Recently discovered two-dimensional (2D) van der Waals layered magnets are considered as promising platforms for investigating novel magneto-optical phenomena and devices, due to the long-range magnetic ordering down to atomically-thin thickness, rich species and tunable properties. However, m… ▽ More Magneto-optical effect has been widely used in light modulation, optical sensing and information storage. Recently discovered two-dimensional (2D) van der Waals layered magnets are considered as promising platforms for investigating novel magneto-optical phenomena and devices, due to the long-range magnetic ordering down to atomically-thin thickness, rich species and tunable properties. However, majority 2D antiferromagnets suffer from low luminescence efficiency which hinders their magneto-optical investigations and applications. Here, we uncover strong light-magnetic ordering interactions in 2D antiferromagnetic MnPS3 utilizing a newly-emerged near-infrared photoluminescence (PL) mode far below its intrinsic bandgap. This ingap PL mode shows strong correlation with the Neel ordering and persists down to monolayer thickness. Combining the DFT, STEM and XPS, we illustrate the origin of the PL mode and its correlation with Neel ordering, which can be attributed to the oxygen ion-mediated states. Moreover, the PL strength can be further tuned and enhanced using ultraviolet-ozone treatment. Our studies offer an effective approach to investigate light-magnetic ordering interactions in 2D antiferromagnetic semiconductors. △ Less

Submitted 6 May, 2022; originally announced May 2022.

Journal ref: Lasers & Photonic Reviews, 2022

Piezoelectric ferromagnetism in Janus monolayer YBrI: a first-principle prediction

Authors: San-Dong Guo, Meng-Xia Wang, Yu-Ling Tao, Bang-Gui Liu

Abstract: Coexistence of intrinsic ferromagnetism and piezoelectricity, namely piezoelectric ferromagnetism (PFM), is crucial to advance multifunctional spintronic technologies. In this work, we demonstrate that Janus monolayer YBrI is a PFM, which is dynamically, mechanically and thermally stable. Electronic correlation effects on physical properties of YBrI are investigated by using generalized gradient a… ▽ More Coexistence of intrinsic ferromagnetism and piezoelectricity, namely piezoelectric ferromagnetism (PFM), is crucial to advance multifunctional spintronic technologies. In this work, we demonstrate that Janus monolayer YBrI is a PFM, which is dynamically, mechanically and thermally stable. Electronic correlation effects on physical properties of YBrI are investigated by using generalized gradient approximation plus $U$ (GGA+$U$) approach. For out-of-plane magnetic anisotropy, YBrI is a ferrovalley (FV) material, and the valley splitting is larger than 82 meV in considered $U$ range. The anomalous valley Hall effect (AVHE) can be achieved under an in-plane electric field. However, for in-plane magnetic anisotropy, YBrI is a common ferromagnetic (FM) semiconductor. When considering intrinsic magnetic anisotropy, the easy axis of YBrI is always in-plane with magnetic anisotropy energy (MAE) from 0.309 meV to 0.237 meV ($U$=0.0 eV to 3.0 eV). However, the magnetization can be adjusted from the in-plane to off-plane direction by external magnetic field, and then lead to the occurrence of valley polarization. Moreover, missing centrosymmetry along with mirror symmetry breaking results in both in-plane and out-of-plane piezoelectricity in YBrI monolayer. At a typical $U$=2.0 eV, the $d_{11}$ is predicted to be -5.61 pm/V, which is higher than or compared with ones of other two-dimensional (2D) known materials. The electronic and piezoelectric properties of YBrI can be effectively tuned by applying a biaxial strain. For example, tensile strain can enhance valley splitting and $d_{11}$ (absolute value). The predicted Curie temperature of YBrI is higher than those of experimentally synthesized 2D ferromagnetic materials $\mathrm{CrI_3}$ and $\mathrm{Cr_2Ge_2Te_6}$. △ Less

Submitted 13 April, 2022; originally announced April 2022.

Comments: 10 pages, 12 figures

Lattice and magnetic dynamics in YVO$_{3}$ Mott insulator studied by neutron scattering and first-principles calculations

Authors: Yu Tao, Douglas L. Abernathy, Tianran Chen, Taner Yildirim, Jiaqiang Yan, Jianshi Zhou, John B. Goodenough, Despina Louca

Abstract: The Mott insulator YVO$_{3}$ with $T_{N}$ = 118 K is revisited to explore the role of spin, lattice and orbital correlations across the multiple structural and magnetic transitions observed as a function of temperature. Upon cooling, the crystal structure changes from orthorhombic to monoclinic at 200 K, and back to orthorhombic at 77 K, followed by magnetic transitions. From the paramagnetic high… ▽ More The Mott insulator YVO$_{3}$ with $T_{N}$ = 118 K is revisited to explore the role of spin, lattice and orbital correlations across the multiple structural and magnetic transitions observed as a function of temperature. Upon cooling, the crystal structure changes from orthorhombic to monoclinic at 200 K, and back to orthorhombic at 77 K, followed by magnetic transitions. From the paramagnetic high temperature phase, C-type ordering is first observed at 118 K, followed by a G-type spin re-orientation transition at 77 K. The dynamics of the transitions were investigated via inelastic neutron scattering and first principles calculations. An overall good agreement between the neutron data and calculated spectra was observed. From the magnon density of states, the magnetic exchange constants were deduced to be $J_{ab}$ = $J_{c}$ = -5.8 meV in the G-type spin phase, and $J_{ab}$ = -3.8 meV, $J_{c}$ = 7.6 meV at 80 K and $J_{ab}$ = -3.0 meV, $J_{c}$ = 6.0 meV at 100 K in the C-type spin phase. Paramagnetic scattering was observed in the spin ordered phases, well below the C-type transition temperature, that continuously increased above the transition. Fluctuations in the temperature dependence of the phonon density of states were observed between 50 and 80 K as well, coinciding with the G-type to C-type transition. These fluctuations are attributed to optical oxygen modes above 40 meV, from first principles calculations. In contrast, little change in the phonon spectra is observed across $T_{N}$. △ Less

Submitted 24 December, 2021; originally announced December 2021.

Comments: 8 pages, 5 figures

Exceptional Heavy-Fermion Semimetals in Three Dimensions

Authors: Yu-Liang Tao, Tao Qin, Yong Xu

Abstract: Topological heavy-fermion systems in three dimensions are usually classified as topological insulators or semimetals. Here, we theoretically predict a different type of heavy-fermion system (dubbed exceptional heavy-fermion semimetal) by studying a three-dimensional periodic Anderson model consisting of strongly correlated localized $f$ electrons and itinerant conduction $c$ electrons in a zincble… ▽ More Topological heavy-fermion systems in three dimensions are usually classified as topological insulators or semimetals. Here, we theoretically predict a different type of heavy-fermion system (dubbed exceptional heavy-fermion semimetal) by studying a three-dimensional periodic Anderson model consisting of strongly correlated localized $f$ electrons and itinerant conduction $c$ electrons in a zincblende lattice. Due to the breaking of inversion symmetry, the quasiparticle lifetimes at different sublattices are distinct, leading to the emergence of Weyl exceptional rings in the complex pole of the Green's function at finite temperatures; such rings lead to the appearance of bounded Fermi surfaces (bulk Fermi disks). As temperatures rise, two pairs of Weyl exceptional rings merge into two exceptional rings with one bounded bulk Fermi surface (bulk Fermi tube), which are experimentally measurable by angle-resolved photoemission spectroscopy. Finally, we use the dynamical mean field theory to calculate the spectral functions which illustrate the emergence of bulk Fermi tubes. Our work thus opens the door for studying exceptional heavy-fermion semimetal phases in three dimensions. △ Less

Submitted 31 January, 2023; v1 submitted 5 November, 2021; originally announced November 2021.

Comments: 13 pages, 11 figures, published version

Journal ref: Phys. Rev. B 107, 035140(2023)

Large change of interlayer vibrational coupling with stacking in Mo$_{1-x}$W$_{x}$Te$_{2}$

Authors: John A. Schneeloch, Yu Tao, Jaime A. Fernandez-Baca, Guangyong Xu, Despina Louca

Abstract: Stacking variations in quasi-2D materials can have an important influence on material properties, such as changing the topology of the band structure. Unfortunately, the weakness of van der Waals interactions makes it difficult to compute the stacking dependence of properties, and even in a material as simple as graphite the stacking energetics remain unclear. Mo$_{1-x}$W$_{x}$Te$_{2}$ is a materi… ▽ More Stacking variations in quasi-2D materials can have an important influence on material properties, such as changing the topology of the band structure. Unfortunately, the weakness of van der Waals interactions makes it difficult to compute the stacking dependence of properties, and even in a material as simple as graphite the stacking energetics remain unclear. Mo$_{1-x}$W$_{x}$Te$_{2}$ is a material in which three differently-stacked phases are conveniently accessible by temperature changes: $1T^{\prime}$, $T^*_d$, and the reported Weyl semimetal phase $T_d$. The transitions proceed via layer sliding, and the corresponding interlayer shear mode (ISM) is relevant not just for the stacking energetics, but for understanding the relationship between the Weyl physics and structural changes. However, the interlayer interactions of Mo$_{1-x}$W$_{x}$Te$_{2}$ are not well understood, with wide variation in computed properties. We report inelastic neutron scattering of the ISM in a Mo$_{0.91}$W$_{0.09}$Te$_{2}$ crystal. The ISM energies are generally consistent with the linear chain model (LCM), as expected given the weak interlayer interaction, though there are some discrepancies from predicted intensities. However, the interlayer force constants $K_x$ in the $T^*_d$ and $1T^{\prime}$ phases are substantially weaker than that of $T_d$, at 76(3)% and 83(3)%, respectively. Considering that the relative positioning of atoms in neighboring layers is approximately the same regardless of overall stacking, our results suggest that longer-range influences, such as stacking-induced band structure changes, may be responsible for the substantial change in the interlayer vibrational coupling. These findings should elucidate the stacking energetics of Mo$_{1-x}$W$_{x}$Te$_{2}$ and other van der Waals layered materials. △ Less

Submitted 20 October, 2021; originally announced October 2021.

Comments: supplement included

Gapless Dirac magnons in CrCl$_{3}$

Authors: John A. Schneeloch, Yu Tao, Yongqiang Cheng, Luke Daemen, Guangyong Xu, Qiang Zhang, Despina Louca

Abstract: Bosonic Dirac materials are testbeds for dissipationless spin-based electronics. In the quasi two-dimensional honeycomb lattice of CrX$_{3}$ (X=Cl, Br, I), Dirac magnons have been predicted at the crossing of acoustical and optical spin waves, analogous to Dirac fermions in graphene. Here we show that, distinct from CrBr$_{3}$ and CrI$_{3}$, gapless Dirac magnons are present in bulk CrCl$_{3}$, wi… ▽ More Bosonic Dirac materials are testbeds for dissipationless spin-based electronics. In the quasi two-dimensional honeycomb lattice of CrX$_{3}$ (X=Cl, Br, I), Dirac magnons have been predicted at the crossing of acoustical and optical spin waves, analogous to Dirac fermions in graphene. Here we show that, distinct from CrBr$_{3}$ and CrI$_{3}$, gapless Dirac magnons are present in bulk CrCl$_{3}$, with inelastic neutron scattering intensity at low temperatures approaching zero at the Dirac $K$ point. Upon warming, magnon-magnon interactions induce strong renormalization and decreased lifetimes, with a ~25% softening of the upper magnon branch intensity from 5 to 50 K, though magnon features persist well above T$_{N}$. Moreover, an unusual negative thermal expansion (NTE) of the $a$-axis lattice constant and anomalous phonon behavior are observed below 50 K, indicating magnetoelastic and spin-phonon coupling arising from an increase in the in-plane spin correlations that begins tens of Kelvin above T$_{N}$. △ Less

Submitted 20 October, 2021; originally announced October 2021.

Comments: Files include supplement

Anomalous Transport Induced by Non-Hermitian Anomalous Berry Connection in Non-Hermitian Systems

Authors: Jiong-Hao Wang, Yu-Liang Tao, Yong Xu

Abstract: Non-Hermitian materials can not only exhibit exotic energy band structures but also an anomalous velocity induced by non-Hermitian anomalous Berry connection as predicted by the semiclassical equations of motion for Bloch electrons. However, it is not clear how the modified semiclassical dynamics modifies transport phenomena. Here, we theoretically demonstrate the emergence of anomalous oscillatio… ▽ More Non-Hermitian materials can not only exhibit exotic energy band structures but also an anomalous velocity induced by non-Hermitian anomalous Berry connection as predicted by the semiclassical equations of motion for Bloch electrons. However, it is not clear how the modified semiclassical dynamics modifies transport phenomena. Here, we theoretically demonstrate the emergence of anomalous oscillations driven by either an external dc or ac electric field, which arise from non-Hermitian anomalous Berry connection. Moreover, it is a well-known fact that geometric structures of electric wave functions can only affect the Hall conductivity. However, we are surprised to find a non-Hermitian anomalous Berry connection induced anomalous linear longitudinal conductivity independent of the scattering time. We also show the emergence of a second-order nonlinear longitudinal conductivity induced by non-Hermitian anomalous Berry connection, violating a well-known fact of its absence in a Hermitian system with symmetric energy spectra. These anomalous phenomena are illustrated in a pseudo-Hermitian system with large non-Hermitian anomalous Berry connection. Finally, we propose a practical scheme to realize the anomalous oscillations in an optical system. △ Less

Submitted 22 December, 2021; v1 submitted 16 September, 2021; originally announced September 2021.

Comments: 13 pages including the supplementary material, 4 figures

Journal ref: Chin. Phys. Lett., 2022 39 (1): 010301 Express letter

Spatially resolved surface dissipation over metal and dielectric substrates

Authors: Martin Héritier, Raphael Pachlatko, Ye Tao, John M. Abendroth, Christian L. Degen, Alexander Eichler

Abstract: We report spatially resolved measurements of static and fluctuating electric fields over conductive (Au) and non-conductive (SiO2) surfaces. Using an ultrasensitive `nanoladder' cantilever probe to scan over these surfaces at distances of a few tens of nanometers, we record changes in the probe resonance frequency and damping that we associate with static and fluctuating fields, respectively. We f… ▽ More We report spatially resolved measurements of static and fluctuating electric fields over conductive (Au) and non-conductive (SiO2) surfaces. Using an ultrasensitive `nanoladder' cantilever probe to scan over these surfaces at distances of a few tens of nanometers, we record changes in the probe resonance frequency and damping that we associate with static and fluctuating fields, respectively. We find that the two quantities are spatially correlated and of similar magnitude for the two materials. We quantitatively describe the observed effects on the basis of trapped surface charges and dielectric fluctuations in an adsorbate layer. Our results provide direct, spatial evidence for surface dissipation in adsorbates that affects nanomechanical sensors, trapped ions, superconducting resonators, and color centers in diamond. △ Less

Submitted 6 April, 2021; originally announced April 2021.

Journal ref: Phys. Rev. Lett. 127, 216101 (2021)

Nanoparticle seeded glancing-angle deposition of tip-handle heterostructures for manipulation of individual nanoparticles

Authors: Kai Trepka, Govind Bindra, Haley Langan, Jessica Lin, Kristina Linko, Henry Tsang, Nare Janvelyan, Fanny Hiebel, Ye Tao

Abstract: The controllable handling of an arbitrary single particle of matter with sub-100 nanometer (nm) dimensions is an essential but unsolved scientific challenge. We demonstrate nanoparticle-seeded glancing angle deposition using 10-100 nm diameter nanoparticle seeds (Er2O3, Fe@C, and Fe). The products are nanoparticle-nanowire heterostructures composed of arbitrary nanoscale tips attached to micron-le… ▽ More The controllable handling of an arbitrary single particle of matter with sub-100 nanometer (nm) dimensions is an essential but unsolved scientific challenge. We demonstrate nanoparticle-seeded glancing angle deposition using 10-100 nm diameter nanoparticle seeds (Er2O3, Fe@C, and Fe). The products are nanoparticle-nanowire heterostructures composed of arbitrary nanoscale tips attached to micron-length nanowire handles. Optical micromanipulation of the micron-scale handles enables concurrent manipulation of the attached nanoscale particles of matter. △ Less

Submitted 31 December, 2020; v1 submitted 26 December, 2020; originally announced December 2020.

Comments: 8 pages, 2 figures, 3 tables, updated reference DOIs and fixed typos and formatting issues

Relativistic Ginzburg-Landau equation: An investigation for overdoped cuprate films

Authors: Yong Tao

Abstract: By introducing the imaginary time, Gor'kov's Ginzburg-Landau equation at zero temperature can be extended to an exact relativistic form without any phenomenological parameter, which is intended to describe the zero-temperature overdoped cuprate. By using such a relativistic equation, we have shown that the two-class scaling observed in the overdoped side of single-crystal $La_{2-x}Sr_xCuO_4$ (LSCO… ▽ More By introducing the imaginary time, Gor'kov's Ginzburg-Landau equation at zero temperature can be extended to an exact relativistic form without any phenomenological parameter, which is intended to describe the zero-temperature overdoped cuprate. By using such a relativistic equation, we have shown that the two-class scaling observed in the overdoped side of single-crystal $La_{2-x}Sr_xCuO_4$ (LSCO) films [Nature 536, 309-311 (2016)] can be derived exactly. In this paper, we further test the validity of the relativistic Ginzburg-Landau equation. By applying the perturbation method into this equation, we theoretically predict that near the superconductor-metal transition point in the overdoped side of LSCO films, the zero-temperature correlation length $ξ(0)$ and the transition temperature $T_c$ should yield a novel scaling $ξ(0)\propto T_c^{-σ}$ with a critical exponent $σ\approx 1.31 $ (up to the two-loop approximation). Here, we propose a diffraction experiment between $X$-rays and zero-temperature LSCO films to measure the critical exponent $σ$. △ Less

Submitted 12 August, 2020; originally announced August 2020.

Journal ref: Physics Letters A 384 (2020) 126636

Hinge solitons in three-dimensional second-order topological insulators

Authors: Yu-Liang Tao, Ning Dai, Yan-Bin Yang, Qi-Bo Zeng, Yong Xu

Abstract: A second-order topological insulator in three dimensions refers to a topological insulator with gapless states localized on the hinges, which is a generalization of a traditional topological insulator with gapless states localized on the surfaces. Here we theoretically demonstrate the existence of stable solitons localized on the hinges of a second-order topological insulator in three dimensions w… ▽ More A second-order topological insulator in three dimensions refers to a topological insulator with gapless states localized on the hinges, which is a generalization of a traditional topological insulator with gapless states localized on the surfaces. Here we theoretically demonstrate the existence of stable solitons localized on the hinges of a second-order topological insulator in three dimensions when nonlinearity is involved. By means of systematic numerical study, we find that the soliton has strong localization in real space and propagates along the hinge unidirectionally without changing its shape. We further construct an electric network to simulate the second-order topological insulator. When a nonlinear inductor is appropriately involved, we find that the system can support a bright soliton for the voltage distribution demonstrated by stable time evolution of a voltage pulse. △ Less

Submitted 7 December, 2020; v1 submitted 9 May, 2020; originally announced May 2020.

Comments: 11 pages, 6 figures

Journal ref: New J. Phys. 22, 103058 (2020)

T$_{d}$ to 1T$^{\prime}$ structural phase transition in WTe$_{2}$ Weyl semimetal

Authors: Yu Tao, John A. Schneeloch, Adam A. Aczel, Despina Louca

Abstract: Elastic neutron scattering on a single crystal and powder X-ray diffraction measurements were carried out to investigate how the crystal structure evolves as a function of temperature in the Weyl semimetal WTe$_{2}$. A sharp transition from the low-temperature orthorhombic phase (T$_{d}$) to the high-temperature monoclinic phase (1T$^{\prime}$) was observed at ambient pressure in the single crysta… ▽ More Elastic neutron scattering on a single crystal and powder X-ray diffraction measurements were carried out to investigate how the crystal structure evolves as a function of temperature in the Weyl semimetal WTe$_{2}$. A sharp transition from the low-temperature orthorhombic phase (T$_{d}$) to the high-temperature monoclinic phase (1T$^{\prime}$) was observed at ambient pressure in the single crystal near $\sim$565 K. Unlike in MoTe$_{2}$, the solid-solid transition from T$_{d}$ to 1T$^{\prime}$ occurs without the cell doubling of the intermediate T$_{d}^{*}$ phase with AABB (or ABBA) layer stacking. In powders however, the thermal transition from the T$_{d}$ to the 1T$^{\prime}$ phase is broadened and a two phase coexistence was observed until 700K, well above the structural transition. △ Less

Submitted 22 June, 2020; v1 submitted 20 March, 2020; originally announced March 2020.

Comments: 6 pages, 3 figures

Journal ref: Phys. Rev. B 102, 060103 (2020)

Evolution of the structural transition in Mo$_{1-x}$W$_{x}$Te$_{2}$

Authors: John A. Schneeloch, Yu Tao, Chunruo Duan, Masaaki Matsuda, Adam A. Aczel, Jaime A. Fernandez-Baca, Guangyong Xu, Jörg C. Neuefeind, Junjie Yang, Despina Louca

Abstract: The composition dependence of the structural transition between the monoclinic 1T$^{\prime}$ and orthorhombic T$_{d}$ phases in the Mo$_{1-x}$W$_{x}$Te$_{2}$ Weyl semimetal was investigated by elastic neutron scattering on single crystals up to $x \approx 0.54$. First observed in MoTe$_{2}$, the transition from T$_{d}$ to 1T$^{\prime}$ is accompanied by an intermediate pseudo-orthorhombic phase, T… ▽ More The composition dependence of the structural transition between the monoclinic 1T$^{\prime}$ and orthorhombic T$_{d}$ phases in the Mo$_{1-x}$W$_{x}$Te$_{2}$ Weyl semimetal was investigated by elastic neutron scattering on single crystals up to $x \approx 0.54$. First observed in MoTe$_{2}$, the transition from T$_{d}$ to 1T$^{\prime}$ is accompanied by an intermediate pseudo-orthorhombic phase, T$_{d}^{*}$. Upon doping with W, the T$_{d}^{*}$ phase vanishes by $x \approx 0.34$. Above this concentration, a phase coexistence behavior with both T$_{d}$ and 1T$^{\prime}$ is observed instead. The interlayer in-plane positioning parameter $δ$, which relates to the 1T$^{\prime}$ $β$ angle, decreases with temperature as well as with W substitution, likely due to strong anharmonicity in the interlayer interactions. The temperature width of the phase coexistence remains almost constant up to $x \approx 0.54$, in contrast to the broadening reported under pressure. △ Less

Submitted 11 June, 2020; v1 submitted 18 March, 2020; originally announced March 2020.

Comments: supplement in separate file

Journal ref: Phys. Rev. B 102, 054105 (2020)

Parabolic Scaling in Overdoped Cuprate Films

Authors: Yong Tao

Abstract: It was recently reported that, in the highly overdoped side of single-crystal $La_{2-x}Sr_xCuO_4$ films, the transition temperature $T_c$ and zero-temperature superfluid phase stiffness $ρ_s(0)$ will obey a parabolic scaling $T_c=γ\cdot \sqrt{ρ_s(0)}$. Parabolic scaling indicates a quantum phase transition from a superconductor to a normal metal, for which there has been scant understanding [Natur… ▽ More It was recently reported that, in the highly overdoped side of single-crystal $La_{2-x}Sr_xCuO_4$ films, the transition temperature $T_c$ and zero-temperature superfluid phase stiffness $ρ_s(0)$ will obey a parabolic scaling $T_c=γ\cdot \sqrt{ρ_s(0)}$. Parabolic scaling indicates a quantum phase transition from a superconductor to a normal metal, for which there has been scant understanding [Nature 536, 309-311 (2016)]. The current study shows that, using the quantum critical model for zero-temperature Cooper pairs [EPL 118, 57007 (2017)], parabolic scaling can be exactly derived, where $γ=γ(\varepsilon_F,a)$ is uniquely determined by the Fermi energy $\varepsilon_F$ and the minimal lattice constant $a$ of superconducting materials. For single-crystal $La_{2-x}Sr_xCuO_4$ films, we calculate the theoretical value of $γ$, which yields $4.29 K^{1/2}$ and is in accordance with an experimental measure value $(4.2 \pm 0.5) K^{1/2} $ with high accuracy. Our formula for $γ$ can be further tested by investigating other BCS-like materials. △ Less

Submitted 20 June, 2019; originally announced June 2019.

Comments: 11 pages, 1 figure, 1 table

Journal ref: Journal of Superconductivity and Novel Magnetism, 2019

Appearance of T$_d^*$ phase across the T$_{d}$-1T$^{\prime}$ phase boundary in Weyl semimetal MoTe$_{2}$

Authors: Yu Tao, John A. Schneeloch, Chunruo Duan, Masaaki Matsuda, Sachith E. Dissanayake, Adam A. Aczel, Jaime A. Fernandez-Baca, Feng Ye, Despina Louca

Abstract: Using elastic neutron scattering on single crystals of MoTe$_{2}$ and Mo$_{1-x}$W$_{x}$Te$_{2}$ ($x \lesssim 0.01$), the temperature dependence of the recently discovered T$_{d}^{*}$ phase, present between the low temperature orthorhombic T$_{d}$ phase and high temperature monoclinic 1T$^{\prime}$ phase, is explored. The T$_{d}^{*}$ phase appears only on warming from T$_{d}$ and is observed in the… ▽ More Using elastic neutron scattering on single crystals of MoTe$_{2}$ and Mo$_{1-x}$W$_{x}$Te$_{2}$ ($x \lesssim 0.01$), the temperature dependence of the recently discovered T$_{d}^{*}$ phase, present between the low temperature orthorhombic T$_{d}$ phase and high temperature monoclinic 1T$^{\prime}$ phase, is explored. The T$_{d}^{*}$ phase appears only on warming from T$_{d}$ and is observed in the hysteresis region prior to the 1T$^{\prime}$ transition. This phase consists of four layers in its unit cell, and is constructed by an "AABB" sequence of layer stacking operations rather than the "AB" and "AA" sequences of the 1T$^{\prime}$ and T$_{d}$ phases, respectively. Though the T$_{d}^{*}$ phase emerges without disorder on warming from T$_{d}$, on cooling from 1T$^{\prime}$ diffuse scattering is observed that suggests a frustrated tendency toward the "AABB" stacking. △ Less

Submitted 26 August, 2019; v1 submitted 18 February, 2019; originally announced February 2019.

Comments: Supplement included as separate file

Journal ref: Phys. Rev. B 100, 100101 (2019)

Using a machine learning approach to determine the space group of a structure from the atomic pair distribution function (PDF)

Authors: Chia-Hao Liu, Yunzhe Tao, Daniel Hsu, Qiang Du, Simon J. L. Billinge

Abstract: We present a method for predicting the space group of a structure given a calculated or measured atomic pair distribution function (PDF) from that structure. The method utilizes machine learning models trained on more than 100,000 PDFs calculated from structures in the 45 most heavily represented space groups. In particular, we present a convolutional neural network (CNN) model which yields a prom… ▽ More We present a method for predicting the space group of a structure given a calculated or measured atomic pair distribution function (PDF) from that structure. The method utilizes machine learning models trained on more than 100,000 PDFs calculated from structures in the 45 most heavily represented space groups. In particular, we present a convolutional neural network (CNN) model which yields a promising result that it correctly identifies the space group among the top-6 estimates 91.9~\% of the time. The CNN model also successfully identifies space groups on 12 out of 15 experimental PDFs. We discuss interesting aspects of the failed estimates, which indicate that the CNN is failing in similar ways as conventional indexing algorithms applied to conventional powder diffraction data. This preliminary success of the CNN model shows the possibility of model-independent assessment of PDF data on a wide class of materials. △ Less

Submitted 25 February, 2019; v1 submitted 1 February, 2019; originally announced February 2019.

Giant photoinduced lattice distortion in oxygen-vacancy ordered SrCoO2.5 thin films

Authors: Bingbing Zhang, Xu He, Jiali Zhao, Can Yu, Haidan Wen, Sheng Meng, Eric Bousquet, Yuelin Li, Kuijuan Jin, Ye Tao, Haizhong Guo

Abstract: Despite of the tremendous efforts spent on the oxygen vacancy migration in determining the property optimization of oxygen-vacancy enrichment transition metal oxides, few has focused on their dynamic behaviors non-equilibrium states. In this work, we performed multi-timescale ultrafast X-ray diffraction measurements by using picosecond synchrotron X-ray pulses and femtosecond table-top X-ray pulse… ▽ More Despite of the tremendous efforts spent on the oxygen vacancy migration in determining the property optimization of oxygen-vacancy enrichment transition metal oxides, few has focused on their dynamic behaviors non-equilibrium states. In this work, we performed multi-timescale ultrafast X-ray diffraction measurements by using picosecond synchrotron X-ray pulses and femtosecond table-top X-ray pulses to monitor the structural dynamics in the oxygen-vacancy ordered SrCoO2.5 thin films. A giant photoinduced strain (Δc/c > 1%) was observed, whose distinct correlation with the pump photon energy indicates a non-thermal origin of the photoinduced strain. The sub-picosecond resolution X-ray diffraction reveals the formation and propagation of the coherent acoustic phonons inside the film. We also simulate the effect of photoexcited electron-hole pairs and the resulting lattice changes using the Density Function Theory method to obtain further insight on the microscopic mechanism of the measured photostriction effect. Comparable photostrictive responses and the strong dependence on excitation wavelength are predicted, revealing a bonding to anti-bonding charge transfer or high spin to intermediate spin crossover induced lattice expansion in the oxygen-vacancy films. △ Less

Submitted 7 August, 2018; v1 submitted 18 March, 2018; originally announced March 2018.

Comments: 12 pages, 4 figures, support material

Journal ref: Phys. Rev. B 100, 144201 (2019)

Nanoladder cantilevers made from diamond and silicon

Authors: M. Héritier, A. Eichler, Y. Pan, U. Grob, I. Shorubalko, M. D. Krass, Y. Tao, C. L. Degen

Abstract: We present a "nanoladder" geometry that minimizes the mechanical dissipation of ultrasensitive cantilevers. A nanoladder cantilever consists of a lithographically patterned scaffold of rails and rungs with feature size $\sim$ 100 nm. Compared to a rectangular beam of the same dimensions, the mass and spring constant of a nanoladder are each reduced by roughly two orders of magnitude. We demonstrat… ▽ More We present a "nanoladder" geometry that minimizes the mechanical dissipation of ultrasensitive cantilevers. A nanoladder cantilever consists of a lithographically patterned scaffold of rails and rungs with feature size $\sim$ 100 nm. Compared to a rectangular beam of the same dimensions, the mass and spring constant of a nanoladder are each reduced by roughly two orders of magnitude. We demonstrate a low force noise of $158 (+62)(-42)\,$zN and $190 (+42)(-33)\,$zN in a one-Hz bandwidth for devices made from silicon and diamond, respectively, measured at temperatures between 100--150 mK. As opposed to bottom-up mechanical resonators like nanowires or nanotubes, nanoladder cantilevers can be batch-fabricated using standard lithography, which is a critical factor for applications in scanning force microscopy. △ Less

Submitted 30 November, 2017; originally announced November 2017.

Photoinduced coherent acoustic phonon dynamics inside Mott insulator Sr2IrO4 films observed by femtosecond X-ray pulses

Authors: Bing-Bing Zhang, Jian Liu, Xu Wei, Da-Rui Sun, Quan-Jie Jia, Yuelin Li, Ye Tao

Abstract: We investigate the transient photoexcited lattice dynamics in a layered perovskite Mott insulator Sr2IrO4 by femtosecond X-ray diffraction using a laser plasma-based X-ray source. Ultrafast structural dynamics of Sr2IrO4 thin films are determined by observing the shift and broadening of the (0012) Bragg diffraction after excitation by 1.5 eV and 3.0 eV pump photons for films with different thickne… ▽ More We investigate the transient photoexcited lattice dynamics in a layered perovskite Mott insulator Sr2IrO4 by femtosecond X-ray diffraction using a laser plasma-based X-ray source. Ultrafast structural dynamics of Sr2IrO4 thin films are determined by observing the shift and broadening of the (0012) Bragg diffraction after excitation by 1.5 eV and 3.0 eV pump photons for films with different thicknesses. The observed transient lattice response can be well interpreted as a distinct three-step dynamics due to the propagation of coherent acoustic phonons generated by the photoinduced quasiparticles (QP). Employing a normalized phonon propagation model, we found that the photoinduced angular shifts of the Bragg peak collapse into a universal curve after introducing a normalized coordinates to account for different thicknesses and pump photon energies, pinpointing the origin of the lattice distortion and its early evolution. In addition, a transient photocurrent measurement indicates that the photoinduced QPs are charge neutral excitons. Mapping the phonon propagation and correlating its dynamics with the QP by ultrafast X-ray diffraction (UXRD) establish a powerful way to study electron-phonon coupling and uncover the exotic physics in strongly correlated systems under nonequilibrium conditions. △ Less

Submitted 5 April, 2017; originally announced April 2017.

Comments: 11 pages,4 figures

Spatial Chern-Simons Interactions and Complex Magnetic Penetration Depth

Authors: Yong Tao

Abstract: This paper examines the Landau-Ginzburg theory in the presence of spatial Chern-Simons interactions, which typically emerge in Weyl semimetals due to domain-wall motion. We demonstrate that the incorporation of a purely spatial Chern-Simons term, which violates parity, into the Landau-Ginzburg free energy leads to a complex magnetic penetration depth. This characteristic indicates that, aside from… ▽ More This paper examines the Landau-Ginzburg theory in the presence of spatial Chern-Simons interactions, which typically emerge in Weyl semimetals due to domain-wall motion. We demonstrate that the incorporation of a purely spatial Chern-Simons term, which violates parity, into the Landau-Ginzburg free energy leads to a complex magnetic penetration depth. This characteristic indicates that, aside from possessing an effective penetration depth, the magnetic field on the surface of the superconductor experiences periodic spatial oscillations, which significantly deviates from the conventional Meissner effect. In particular, we observe that as the degree of parity breaking, quantified by the strength of the spatial Chern-Simons term, increases, a vortex solution with magnetic field inversion may emerge. With the discovery of superconductivity in certain Weyl semimetals, we anticipate the possibility of experimentally observing this phenomenon in these materials. △ Less

Submitted 8 March, 2025; v1 submitted 27 September, 2016; originally announced October 2016.

Comments: 16 pages

Journal ref: Annalen der Physik (Berlin) 2400352 (2025)

Ultrasensitive mechanical detection of magnetic moment using a commercial disk drive write head

Authors: Y. Tao, A. Eichler, T. Holzherr, C. L. Degen

Abstract: Sensitive detection of weak magnetic moments is an essential capability in many areas of nanoscale science and technology, including nanomagnetism, quantum readout of spins, and nanoscale magnetic resonance imaging. Here, we show that the write head of a commercial hard drive may enable significant advances in nanoscale spin detection. By approaching a sharp diamond tip to within 5 nm from the pol… ▽ More Sensitive detection of weak magnetic moments is an essential capability in many areas of nanoscale science and technology, including nanomagnetism, quantum readout of spins, and nanoscale magnetic resonance imaging. Here, we show that the write head of a commercial hard drive may enable significant advances in nanoscale spin detection. By approaching a sharp diamond tip to within 5 nm from the pole and measuring the induced diamagnetic moment with a nanomechanical force transducer, we demonstrate a spin sensitivity of 0.032 Bohr magnetons per root Hz, equivalent to 21 proton magnetic moments. The high sensitivity is enabled in part by the pole's strong magnetic gradient of up to 28 million Tesla per meter and in part by the absence of non-contact friction due to the extremely flat writer surface. In addition, we demonstrate quantitative imaging of the pole field with about 10 nm spatial resolution. We foresee diverse applications for write heads in experimental condensed matter physics, especially in spintronics, ultrafast spin manipulation, and mesoscopic physics. △ Less

Submitted 30 September, 2016; v1 submitted 10 December, 2015; originally announced December 2015.

Comments: 21 pages, 6 figures

Journal ref: Nature Communications 7, 12714 (2016)

Scaling Laws for Thin Films near the Superconducting-to-Insulating Transition

Authors: Yong Tao

Abstract: We propose a Lagrangian function, which combines Landau-Ginzburg term and Chern-Simons term, for describing the competition between disorder and superconductivity. To describe the normal-to-superconducting transition in the thin superconducting films, we apply Wilson's renormalization group methods into this Lagrangian function. Finally, we obtain a scaling law between critical temperature (T_c),… ▽ More We propose a Lagrangian function, which combines Landau-Ginzburg term and Chern-Simons term, for describing the competition between disorder and superconductivity. To describe the normal-to-superconducting transition in the thin superconducting films, we apply Wilson's renormalization group methods into this Lagrangian function. Finally, we obtain a scaling law between critical temperature (T_c), film thickness (d), sheet resistance of the film at the normal state (R_s), and number density of the electrons at the normal state (N). Such a scaling law is in agreement with recent experimental investigations [Ivry, Y. et al, Physical Review B 90, 214515 (2014)]. Our finding may have potential benefits for improving transition temperature T_c. △ Less

Submitted 5 April, 2016; v1 submitted 23 April, 2015; originally announced April 2015.

Comments: 9 pages, 1 table

Journal ref: Scientific Reports 6, Article number: 23863 (2016)

Accelerated nanoscale magnetic resonance imaging through phase multiplexing

Authors: B. A. Moores, A. Eichler, Y. Tao, H. Takahashi, P. Navaretti, C. L. Degen

Abstract: We report a method for accelerated nanoscale nuclear magnetic resonance imaging by detecting several signals in parallel. Our technique relies on phase multiplexing, where the signals from different nuclear spin ensembles are encoded in the phase of an ultrasensitive magnetic detector. We demonstrate this technique by simultaneously acquiring statistically polarized spin signals from two different… ▽ More We report a method for accelerated nanoscale nuclear magnetic resonance imaging by detecting several signals in parallel. Our technique relies on phase multiplexing, where the signals from different nuclear spin ensembles are encoded in the phase of an ultrasensitive magnetic detector. We demonstrate this technique by simultaneously acquiring statistically polarized spin signals from two different nuclear species (1H, 19F) and from up to six spatial locations in a nanowire test sample using a magnetic resonance force microscope. We obtain one-dimensional imaging resolution better than 5 nm, and subnanometer positional accuracy. △ Less

Submitted 10 August, 2015; v1 submitted 22 December, 2014; originally announced December 2014.

Comments: 14 pages, 6 figures

Journal ref: Applied Physics Letters 106, 213101 (2015)