Showing 1–50 of 497 results for author: Lin, Y

3D cavity-based graphene superconducting quantum circuits in two-qubit architectures

Authors: Kuei-Lin Chiu, Avishma J. Lasrado, Cheng-Han Lo, Yen-Chih Chen, Shih-Po Shih, Yen-Hsiang Lin, Chung-Ting Ke

Abstract: We construct a series of graphene-based superconducting quantum circuits and integrate them into 3D cavities. For a single-qubit device, we demonstrate flux-tunable qubit transition, with a measured $T_1$ $\approx$ 48 ns and a lower bound estimate of $T_2^\ast$ $\approx$ 17.63 ns. By coupling the device to cavities with different resonant frequencies, we access multiple qubit-cavity coupling regim… ▽ More We construct a series of graphene-based superconducting quantum circuits and integrate them into 3D cavities. For a single-qubit device, we demonstrate flux-tunable qubit transition, with a measured $T_1$ $\approx$ 48 ns and a lower bound estimate of $T_2^\ast$ $\approx$ 17.63 ns. By coupling the device to cavities with different resonant frequencies, we access multiple qubit-cavity coupling regimes, enabling the observation of vacuum Rabi splitting and flux-dependent spectral linewidths. In a two-qubit device consisting of a SQUID and a single junction, power-dependent measurements reveal a two-stage dispersive shift. By flux-tuning the cavity frequency at different readout powers, we attribute the first shift to the fixed-qubit and the second to the SQUID-qubit, indicating successful coupling between the two circuits and a single cavity mode. Our study demonstrates the flexible coupling achievable between 2D-material-based superconducting circuits and 3D cavities, and paves the way toward constructing multi-qubit 3D transmon devices from 2D materials. △ Less

Submitted 24 December, 2025; originally announced December 2025.

Magnetism and Correlated Electrons in LaCr$_2$Ge$_2$N

Authors: Jiao-Jiao Meng, Yu-Sen Xiao, Gen Li, Shao-Hua Liu, Bai-Zhuo Li, Hao Jiang, Zhen Yu, Yi-Qiang Lin, Xin-Yu Zhao, Qing-Chen Duan, Wu-Zhang Yang, Chong-Yao Zhao, Zhi Ren, Yu-Xue Mei, Yong-Liang Chen, Rui-Dan Zhong, Qing-Xin Dong, Peng-Tao Yang, Shu-Gang Tan, Bo-Sen Wang, Huiqian Luo, Jin-Guang Cheng, Xue Ming, Cao Wang, Guang-Han Cao

Abstract: We report the synthesis, structure and physical properties of a new quaternary nitride LaCr$_2$Ge$_2$N. The compound crystallizes in the CeCr$_2$Si$_2$C-type structure (P4/mmm), featuring distinctive Cr$_2$N square sheets within Cr$_2$Ge$_2$N block layers. Physical characterizations reveal enhanced electron correlations evidenced by a Sommerfeld coefficient substantially larger than band calculati… ▽ More We report the synthesis, structure and physical properties of a new quaternary nitride LaCr$_2$Ge$_2$N. The compound crystallizes in the CeCr$_2$Si$_2$C-type structure (P4/mmm), featuring distinctive Cr$_2$N square sheets within Cr$_2$Ge$_2$N block layers. Physical characterizations reveal enhanced electron correlations evidenced by a Sommerfeld coefficient substantially larger than band calculations and pressure-induced deviation from Fermi-liquid behavior. Magnetic measurements show short-range antiferromagnetic correlations developing around 460 K, followed by long-range magnetic ordering at 14 K. Additionally, subtle anomalies at 378 K suggest possible electronic ordering. First-principles calculations reveal nearly-flat Cr-3d bands near the Fermi level and predict a striped antiferromagnetic ground state. This work demonstrates how electron count variation in the CeCr$_2$Si$_2$C-type structure family leads to magnetic ordering in LaCr$_2$Ge$_2$N, contrasting with the paramagnetic behavior of LnCr$_2$Si$_2$C compounds. △ Less

Submitted 23 December, 2025; originally announced December 2025.

Comments: 8 pages, 5 figures, 3 tables. Accepted for publication in Physical Review B

Entropy stabilization and effect of A-site ionic size in bilayer nickelates

Authors: Jia-Yi Lu, Jia-Xin Li, Xin-Yu Zhao, Yi-Qiang Lin, Guang-Han Cao

Abstract: The discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under high pressure has sparked a surge of research into Ruddlesden-Popper (RP) nickelates. Currently, stabilizing the bilayer RP phases with smaller $A$-site ions remains a significant challenge. In this work, we have successfully synthesized medium- and high-entropy bilayer nickelates, La$_{1.2}$Pr$_{0.6}$Nd$_{0.6}$Sm… ▽ More The discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under high pressure has sparked a surge of research into Ruddlesden-Popper (RP) nickelates. Currently, stabilizing the bilayer RP phases with smaller $A$-site ions remains a significant challenge. In this work, we have successfully synthesized medium- and high-entropy bilayer nickelates, La$_{1.2}$Pr$_{0.6}$Nd$_{0.6}$Sm$_{0.6}$Ni$_2$O$_{7-δ}$ and La$_{0.67}$Pr$_{0.67}$Nd$_{0.67}$Sm$_{0.33}$Eu$_{0.33}$Gd$_{0.33}$Ni$_2$O$_{7-δ}$, by utilizing the concept of configuration entropy stabilization. The high-entropy nickelate exhibits the smallest unit-cell volume and the largest orthorhombic distortion reported to date. The chemical pressure induced by the smaller A-site ions significantly enhances the NiO$_6$ octahedral rotation/distortion and shortens the interlayer Ni-Ni interatomic spacing. Physical property measurements reveal bad electrical conductivity alongside a markedly elevated density-wave transition temperature. Notably, the superconducting transition temperature extrapolated from structural correlations is projected to exceed 100 K. Our work not only demonstrates entropy stabilization of bilayer nickelates, but also reveals the effect of $A$-site-ion size on the crystal structure and physical properties, opening a new pathway for developing nickelate superconductors and tuning their electronic properties. △ Less

Submitted 18 December, 2025; originally announced December 2025.

Comments: 13 pages, 8 figures, 3 tables

Successive magnetic transitions and multiferroicity in layered honeycomb BiCrTeO$_{6}$

Authors: Arkadeb Pal, P. H. Lee, J. Khatua, C. W. Wang, J. Gainza, A. Fitch, Thomas J. Hicken, H. Luetkens, Y. J. Hu, Ajay Tiwari, D. Chandrasekhar Kakarla, J. Y. Lin, K. Y. Choi, G. R. Blake, H. D. Yang

Abstract: Low-dimensional magnetic systems based on honeycomb lattices provide a promising platform for exploring exotic quantum phenomena that emerge from the intricate interplay of competing spin, orbital, lattice, and dipolar degrees of freedom. Here, we present a comprehensive study of the layered honeycomb lattice antiferromagnet BiCrTeO$_6$ using magnetization, specific heat, muon spin--relaxation (… ▽ More Low-dimensional magnetic systems based on honeycomb lattices provide a promising platform for exploring exotic quantum phenomena that emerge from the intricate interplay of competing spin, orbital, lattice, and dipolar degrees of freedom. Here, we present a comprehensive study of the layered honeycomb lattice antiferromagnet BiCrTeO$_6$ using magnetization, specific heat, muon spin--relaxation ($μ$SR) spectroscopy, dielectric, pyrocurrent, and high-resolution synchrotron X-ray diffraction (SXRD) measurements. Our results reveal an array of intriguing and strongly correlated phenomena, including two successive antiferromagnetic transitions at $T_{\rm N1}\approx16$ K and $T_{\rm N2}\approx11$ K, a pronounced magnetodielectric coupling effect, and ferroelectric order at $T_{\rm N2}$. Consequently, this compound emerges as a new spin-driven multiferroic system. The SXRD analysis reveals a magnetoelastic-coupling-induced structural phase transition at $T_{\rm N2}$, characterized by a symmetry lowering from P$\bar{3}$1c (163) to P31c (159), which likely triggers the onset of ferroelectricity. In addition to its low-temperature multiferroic behavior, the system exhibits dielectric relaxor characteristics at higher temperatures within the paramagnetic region ($T<50$ K), which is intrinsically linked to the antisite disorder of Cr and Te atoms. △ Less

Submitted 15 December, 2025; originally announced December 2025.

Quench dynamics of the quantum XXZ chain with staggered interactions: Exact results and simulations on digital quantum computers

Authors: Ching-Tai Huang, Yu-Cheng Lin, Ferenc Igloi

Abstract: We investigate quench dynamics in the quantum $S=1/2$ XXZ antiferromagnetic chain with staggered and anisotropic interactions in the flat-band limit. Our quench protocol interchanges the odd- and even-bond strengths of a fully dimerized chain, enabling us to derive exact time-dependent states for arbitrary even system sizes by working in the Bell basis. We obtain closed-form, size-independent expr… ▽ More We investigate quench dynamics in the quantum $S=1/2$ XXZ antiferromagnetic chain with staggered and anisotropic interactions in the flat-band limit. Our quench protocol interchanges the odd- and even-bond strengths of a fully dimerized chain, enabling us to derive exact time-dependent states for arbitrary even system sizes by working in the Bell basis. We obtain closed-form, size-independent expressions for the von Neumann and second-order Rényi entanglement entropies. We further calculate exact Loschmidt echoes and the corresponding return rate functions across various anisotropies and system sizes, and identify Loschmidt zeros in finite chains. Our analysis reveals the precise conditions on the anisotropy parameter that govern the periodicity of the dynamical observables. In addition to the analytic study, we perform two types of numerical experiments on IBM-Q quantum devices. First, we use the Hadamard test to estimate the Bell-basis expansion coefficients and reconstruct the dynamical states, achieving accurate entanglement entropies and the Loschmidt echo for small systems. Second, we implement Trotter-error-free time-evolution circuits combined with randomized Pauli measurements. Post-processing via statistical correlations and classical shadows yields reliable estimates of the second-order Rényi entanglement entropy and the Loschmidt echo, showing satisfactory agreement with exact results. △ Less

Submitted 9 December, 2025; v1 submitted 2 December, 2025; originally announced December 2025.

Comments: 15 pages, 16 figures

Stabilization of Tetragonal Phase and Aluminum-Doping Effect in a Bilayer Nickelate

Authors: Jia-Yi Lu, Yi-Qiang Lin, Kai-Xin Ye, Xin-Yu Zhao, Jia-Xin Li, Ya-Nan Zhang, Hao Li, Bai-Jiang Lv, Hui-Qiu Yuan, Guang-Han Cao

Abstract: Recent studies suggest that the tetragonal phase of the Ruddlesden-Popper (RP) bilayer nickelate, La$_3$Ni$_2$O$_7$ or La$_2$PrNi$_2$O$_7$, which is stabilized under high pressures, is responsible for high-temperature superconductivity (HTSC). In this context, realization of the tetragonal phase at ambient pressure could be a rational step to achieve the goal of ambient-pressure HTSC in the nickel… ▽ More Recent studies suggest that the tetragonal phase of the Ruddlesden-Popper (RP) bilayer nickelate, La$_3$Ni$_2$O$_7$ or La$_2$PrNi$_2$O$_7$, which is stabilized under high pressures, is responsible for high-temperature superconductivity (HTSC). In this context, realization of the tetragonal phase at ambient pressure could be a rational step to achieve the goal of ambient-pressure HTSC in the nickelate system. By employing the concept of Goldschmidt tolerance factor, we succeed in stabilizing the tetragonal phase by aluminum doping together with post annealing under moderately high oxygen pressure. X-ray and neutron diffractions verify the tetragonal $I4/mmm$ structure for the post-annealed samples La$_3$Ni$_{2-x}$Al$_x$O$_{7-δ}$ (0.3 $\leq x \leq$ 0.5). The Al-doped samples, including the tetragonal ones, show semiconducting properties, carry localized magnetic moments, and exhibit spin-glass-like behaviors at low temperatures, all of which can be explained in terms of charge carrier localization. Furthermore, high-pressure resistance measurements on post-annealed samples reveal that even a low Al doping ($x$ = 0.05) suppresses superconductivity almost completely. This work gives information about the effect of nonmagnetic impurity on metallicity as well as superconductivity in bilayer nickelates, which would contribute to understanding the superconducting mechanism in RP nickelates. △ Less

Submitted 26 November, 2025; originally announced November 2025.

Comments: 13 pages, 6+8 figures, 1+2 tables

Electrical Modulation and Probing of Antiferromagnetism in Hybrid Multiferroic Heterostructures

Authors: Yuhan Liang, Huiping Han, Hetian Chen, Yujun Zhang, Yi Zhang, Chao Li, Shun Lan, Fangyuan Zhu, Ji Ma, Di Yi, Jing Ma, Liang Wu, Tianxiang Nan, Yuan-Hua Lin

Abstract: The unique features of ultrafast spin dynamics and the absence of macroscopic magnetization in antiferromagnetic (AFM) materials provide a distinct route towards high-speed magnetic storage devices with low energy consumption and high integration density. However, these advantages also introduce challenges in probing and controlling AFM order, thereby restricting their practical applications. In t… ▽ More The unique features of ultrafast spin dynamics and the absence of macroscopic magnetization in antiferromagnetic (AFM) materials provide a distinct route towards high-speed magnetic storage devices with low energy consumption and high integration density. However, these advantages also introduce challenges in probing and controlling AFM order, thereby restricting their practical applications. In this study, we demonstrate an all-electric control and probing of the AFM order in heavy metal (HM)/AFM insulator (AFMI) heterostructures on a ferroelectric substrate at room temperature (RT). The AFM order was detected by the anomalous Hall effect (AHE) and manipulated by the ferroelectric field effect as well as the piezoelectric effect in heterostructures of Pt/NiO/0.7Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$--0.3PbTiO$_{3}$ (PMN--PT). The non-volatile control of AFM order gives rise to a 33\% modulation of AHE, which is further evidenced by synchrotron-based X-ray magnetic linear dichroism (XMLD). Combined with the $in$-$situ$ piezoelectric response of AHE, we demonstrate that ferroelectric polarization contributes mainly to the control of the AFM order. Our results are expected to have broader implications for efficient spintronic devices. △ Less

Submitted 19 November, 2025; originally announced November 2025.

Journal ref: Appl. Phys. Rev. 12, 041410 (2025)

Extrapolation of Machine-Learning Interatomic Potentials for Organic and Polymeric Systems

Authors: Natalie E. Hooven, Arthur Y. Lin, Rose K. Cersonsky

Abstract: Machine-Learning Interatomic Potentials (MLIPs) have surged in popularity due to their promise of expanding the spatiotemporal scales possible for simulating molecules with high fidelity. The accuracy of any MLIP is dependent on the data used for its training; thus, for large molecules, like polymers, where accurate training data is prohibitively difficult to obtain, it becomes necessary to pursue… ▽ More Machine-Learning Interatomic Potentials (MLIPs) have surged in popularity due to their promise of expanding the spatiotemporal scales possible for simulating molecules with high fidelity. The accuracy of any MLIP is dependent on the data used for its training; thus, for large molecules, like polymers, where accurate training data is prohibitively difficult to obtain, it becomes necessary to pursue non-traditional methods to construct MLIPs, many of which are based on constructing MLIPs using smaller, analogous chemical systems. However, we have yet to understand the limits to which smaller molecules can be used as a proxy for extrapolating macromolecular energetics. Here, we provide a ``control study'' for such experiments, exploring the ability of MLIP approaches to extrapolate between n=1-8 n-polyalkanes at identical conditions. Through Principal Covariates Classification, we quantitatively demonstrate how convergence in chemical environments between training and testing datasets coincides with an MLIP's transferability. Additionally, we show how careful attention to the construction of an MLIP's neighbor list can promote greater transferability when considering various levels of the energetic hierarchy. Our results establish a roadmap for how one can create transferable MLIPs for macromolecular systems without the prohibitive cost of constructing system-specific training data. △ Less

Submitted 3 October, 2025; v1 submitted 29 September, 2025; originally announced September 2025.

THz electrodynamics and superconducting energy scales of ZrN thin films

Authors: Ozan Saritas, Frederik Bolle, Yayi Lin, Martin Dressel, Roman Potjan, Marcus Wislicenus, Andre Reck, Marc Scheffler

Abstract: The terahertz (THz) properties of ZrN thin films grown with CMOS-techniques on industry-standard 300 mm silicon wafers are investigated in order to explore their superconducting behavior. The films have thicknesses ranging from 18 to 48 nm, and their critical temperatures Tc are between 5 and 7.3 K. We probe the real and imaginary parts of the complex dynamical conductivity sigma in the frequency… ▽ More The terahertz (THz) properties of ZrN thin films grown with CMOS-techniques on industry-standard 300 mm silicon wafers are investigated in order to explore their superconducting behavior. The films have thicknesses ranging from 18 to 48 nm, and their critical temperatures Tc are between 5 and 7.3 K. We probe the real and imaginary parts of the complex dynamical conductivity sigma in the frequency range from 100 - 540 GHz (0.4 - 2.2 meV) and as a function of temperature. The experiments provide direct access to the low-energy electrodynamics and key materials parameters such as superconducting energy gap and superfluid density. Our findings indicate that ZrN is a weakly coupled BCS-type superconductor with a gap-to-Tc ratio of approximately 3.4 in the thick film limit. For thinner films, this coupling ratio increases up to 4.0, departing from the BCS prediction. The results establish large-scale ZrN thin films as promising material for high-frequency superconducting applications. △ Less

Submitted 21 September, 2025; originally announced September 2025.

Comments: 7 pages, 5 figures

Inverse Design of Amorphous Materials with Targeted Properties

Authors: Jonas A. Finkler, Yan Lin, Tao Du, Jilin Hu, Morten M. Smedskjaer

Abstract: Disordered (amorphous) materials, such as glasses, are emerging as promising candidates for applications within energy storage, nonlinear optics, and catalysis. Their lack of long-range order and complex short- and medium-range orderings, which depend on composition as well as thermal and pressure history, offer a vast materials design space. To this end, relying on machine learning methods instea… ▽ More Disordered (amorphous) materials, such as glasses, are emerging as promising candidates for applications within energy storage, nonlinear optics, and catalysis. Their lack of long-range order and complex short- and medium-range orderings, which depend on composition as well as thermal and pressure history, offer a vast materials design space. To this end, relying on machine learning methods instead of trial and error is promising, and among these, inverse design has emerged as a tool for discovering novel materials with desired properties. Although inverse design methods based on diffusion models have shown success for crystalline materials and molecules, similar methods targeting amorphous materials remain less developed, mainly because of the limited availability of large-scale datasets and the requirement for larger simulation cells. In this work, we propose and validate an inverse design method for amorphous materials, introducing AMDEN (Amorphous Material DEnoising Network), a diffusion model-based framework that generates structures of amorphous materials. These low-energy configurations are typically obtained through a thermal motion-driven random search-like process that cannot be replicated by standard denoising procedures. We therefore introduce an energy-based AMDEN variant that implements Hamiltonian Monte Carlo refinement for generating these relaxed structures. We further introduce several amorphous material datasets with diverse properties and compositions to evaluate our framework and support future development. △ Less

Submitted 17 September, 2025; originally announced September 2025.

Microstructural and preliminary optical and microwave characterization of erbium doped CaMoO$_4$ thin films

Authors: Ignas Masiulionis, Bonnie Y. X. Lin, Sagar Kumar Seth, Gregory D. Grant, Wanda L. Lindquist, Sungjoon Kim, Junghwa Kim, Angel Yanguas-Gil, Jeffrey W. Elam, Jiefei Zhang, James M. LeBeau, David D. Awschalom, Supratik Guha

Abstract: This work explores erbium-doped calcium molybdate (CaMoO$_4$) thin films grown on silicon and yttria stabilized zirconia (YSZ) substrates, as a potential solid state system for C-band (utilizing the $\sim$1.5 $μ$m Er$^{3+}$ 4f-4f transition) quantum emitters for quantum network applications. Through molecular beam epitaxial growth experiments and electron microscopy, X-ray diffraction and reflecti… ▽ More This work explores erbium-doped calcium molybdate (CaMoO$_4$) thin films grown on silicon and yttria stabilized zirconia (YSZ) substrates, as a potential solid state system for C-band (utilizing the $\sim$1.5 $μ$m Er$^{3+}$ 4f-4f transition) quantum emitters for quantum network applications. Through molecular beam epitaxial growth experiments and electron microscopy, X-ray diffraction and reflection electron diffraction studies, we identify an incorporation limited deposition regime that enables a 1:1 Ca:Mo ratio in the growing film leading to single phase CaMoO$_4$ formation that can be in-situ doped with Er (typically 2-100 ppm). We further show that growth on silicon substrates is single phase but polycrystalline in morphology; while growth on YSZ substrates leads to high-quality epitaxial single crystalline CaMoO$_4$ films. We perform preliminary optical and microwave characterization on the suspected $Y_1 - Z_1$ transition of 2 ppm, 200 nm epitaxial CaMoO$_4$ annealed thin films and extract an optical inhomogeneous linewidth of 9.1(1) GHz, an optical excited state lifetime of 6.7(2) ms, a spectral diffusion-limited homogeneous linewidth of 6.7(4) MHz, and an EPR linewidth of 1.10(2) GHz. △ Less

Submitted 20 August, 2025; originally announced August 2025.

Comments: 8 pages, 4 figures

A first-principles theoretical study on two-dimensional MX and MX$_2$ metal halides: bandgap engineering, magnetism, and catalytic descriptors

Authors: Yu-Hsiu Lin, Daniel Maldonado-Lopez, Jose L. Mendoza-Cortes

Abstract: Metal halides, particularly MX and MX$_2$ compounds (where M represents metal elements and X = F, Cl, Br, I), have attracted significant interest due to their diverse electronic and optoelectronic properties. However, a comprehensive understanding of their structural and electronic behavior, particularly the evolution of these properties from bulk to low-dimensional forms, remains limited. To addr… ▽ More Metal halides, particularly MX and MX$_2$ compounds (where M represents metal elements and X = F, Cl, Br, I), have attracted significant interest due to their diverse electronic and optoelectronic properties. However, a comprehensive understanding of their structural and electronic behavior, particularly the evolution of these properties from bulk to low-dimensional forms, remains limited. To address this gap, we performed first-principles calculations to develop a database of 60 MX and MX$_2$ metal halides, detailing their structural and electronic properties in both bulk and slab configurations. Calculations were performed using the advanced \texttt{HSE06-D3} hybrid functional for density functional theory (DFT), ensuring high precision in predicting material properties despite the associated computational cost. The results reveal that these materials are predominantly semiconductors, but their bandgaps range from 0 to 9 eV. A detailed analysis of the transition from bulk to slab structures highlights notable shifts in electronic properties, including bandgap modifications. Upon dimensional reduction, 9 materials exhibit an indirect-to-direct bandgap transition, enhancing their potential for energy conversion. Beyond structural dimensionality, the influence of chemical composition on bandgap variations was also examined. To further assess their practical applicability, the catalytic and magnetic properties of these metal halides were systematically evaluated. These findings not only illuminate previously underexplored MX and MX$_2$ metal halides but also identify promising candidates for electronic, optoelectronic, catalytic and spintronic applications. This database serves as a valuable resource for guiding future research and technology development in low-dimensional materials. △ Less

Submitted 19 August, 2025; originally announced August 2025.

In situ Al$_2$O$_3$ passivation of epitaxial tantalum and aluminum films enables long-term stability in superconducting microwave resonators

Authors: Yi-Ting Cheng, Hsien-Wen Wan, Wei-Jie Yan, Lawrence Boyu Young, Yen-Hsun Glen Lin, Kuan-Hui Lai, Wan-Sin Chen, Chao-Kai Cheng, Ko-Hsuan Mandy Chen, Tun-Wen Pi, Yen-Hsiang Lin, Jueinai Kwo, Minghwei Hong

Abstract: Long-term stability of superconducting microwave resonators is essential for scalable quantum technologies; however, surface and interface degradation continue to limit device stability. Here, we demonstrate exceptional stability in microstrip resonators fabricated from epitaxial tantalum and aluminum films, protected by in situ deposited Al$_2$O$_3$ under ultra-high vacuum. These resonators initi… ▽ More Long-term stability of superconducting microwave resonators is essential for scalable quantum technologies; however, surface and interface degradation continue to limit device stability. Here, we demonstrate exceptional stability in microstrip resonators fabricated from epitaxial tantalum and aluminum films, protected by in situ deposited Al$_2$O$_3$ under ultra-high vacuum. These resonators initially exhibit internal quality factors (Qi) exceeding one million and maintain high performance with minimal degradation after up to fourteen months of air exposure. In contrast, devices relying on native surface oxides show substantial declines in Qi over time, indicating increased microwave losses. X-ray photoelectron spectroscopy reveals that the in situ Al$_2$O$_3$ effectively suppresses interfacial oxidation and preserves the chemical integrity of the underlying superconducting films, whereas native oxides permit progressive oxidation, leading to device degradation. These findings establish a robust, scalable passivation strategy that addresses a longstanding materials challenge in the development of superconducting quantum circuits. △ Less

Submitted 2 August, 2025; originally announced August 2025.

Comments: 21 pages, 5 figures

Quantum Criticality by Interaction Frustration in a Square-Planar Lattice

Authors: Yi-Qiang Lin, Chang-Chao Liu, Jia-Xin Li, Bai-Jiang Lv, Kai-Xin Ye, Jia-Wen Zhang, Si-Qi Wu, Ya-Nan Zhang, Ye Chen, Jia-Yi Lu, Jing Li, Hua-Xun Li, Hao Li, Yi Liu, Cao Wang, Yun-Lei Sun, Hao Jiang, Hui-Qiu Yuan, Guang-Han Cao

Abstract: We report experimental and theoretical investigations on ThCr$_2$Ge$_2$C, a metallic compound in which Cr$_2$C planes form a square-planar lattice. Neutron powder diffraction, magnetization, and specific heat measurements reveal no evidence of long-range magnetic order or short-range spin freezing down to 70~mK. Quantum critical behavior was indicated through logarithmic divergences in both the ma… ▽ More We report experimental and theoretical investigations on ThCr$_2$Ge$_2$C, a metallic compound in which Cr$_2$C planes form a square-planar lattice. Neutron powder diffraction, magnetization, and specific heat measurements reveal no evidence of long-range magnetic order or short-range spin freezing down to 70~mK. Quantum critical behavior was indicated through logarithmic divergences in both the magnetic susceptibility and the specific heat divided by temperature. Resistivity measurements exhibit non-Fermi-liquid behavior, with a Fermi liquid recovered under magnetic fields or high pressures. First-principles calculations identify competing nearest-neighbor ($J_1$) and next-nearest-neighbor ($J_2$) exchange interactions, with $J_2/J_1 \sim -0.5$, pointing to strong magnetic frustration. The interaction frustration is reduced, and magnetically ordered phases are stabilized upon the application of negative or positive pressures. This work offers a rare example of zero-field, ambient pressure quantum criticality mainly driven by interaction frustration in a square lattice. △ Less

Submitted 29 July, 2025; originally announced July 2025.

Comments: 17 pages, 13 figures, and 6 tables

Magnetic Triple-q State in Antiferromagnetic Monolayer Interfaced with Bismuthene

Authors: Chia-Ju Chen, Yu-Tung Lin, Chieh-Lin Lee, Nitin Kumar, Hung-Chin Lee, Yen-Hui Lin, Bo-Yao Wang, Stefan Bluegel, Gustav Bihlmayer, Pin-Jui Hsu

Abstract: We have successfully fabricated the bismuthene covered Mn monolayer on Ag(111) by evaporating Mn atoms onto (p x root3)-Bi/Ag(111) at room temperature. By using spin-polarized scanning tunneling microscopy (SP-STM), we have resolved the magnetic triple-q (3Q) state. In combination with density-functional theory (DFT) calculations, the 3Q3-like spin texture is the magnetic ground state for the bism… ▽ More We have successfully fabricated the bismuthene covered Mn monolayer on Ag(111) by evaporating Mn atoms onto (p x root3)-Bi/Ag(111) at room temperature. By using spin-polarized scanning tunneling microscopy (SP-STM), we have resolved the magnetic triple-q (3Q) state. In combination with density-functional theory (DFT) calculations, the 3Q3-like spin texture is the magnetic ground state for the bismuthene covered Mn monolayer/Ag(111). Interestingly, the uniaxial magnetic anisotropy of 3Q3 state triggered by the bismuthene on top of Mn monolayer/Ag(111) has been revealed, which is consistent with the switching of 3Q3up and 3Q3down domains observed by SP-STM measurements with external magnetic fields. △ Less

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

Unlocking inaccessible performance of the quantum refrigerator with catalysts

Authors: Cong Fu, Ousi Pan, Zhiqiang Fan, Yushun Tang, Shanhe Su, Youhui Lin, Jincan Chen

Abstract: Quantum thermal machines offer promising platforms for exploring the fundamental limits of thermodynamics at the microscopic scale. The previous study demonstrated that the incorporation of a catalyst can significantly enhance the performance of a heat engine by broadening its operational regime and achieving a more favorable trade-off between work output and efficiency. Building on this powerful… ▽ More Quantum thermal machines offer promising platforms for exploring the fundamental limits of thermodynamics at the microscopic scale. The previous study demonstrated that the incorporation of a catalyst can significantly enhance the performance of a heat engine by broadening its operational regime and achieving a more favorable trade-off between work output and efficiency. Building on this powerful framework and innovative idea, here we further extend the concept to a two-stroke quantum refrigerator that extracts heat from a cold reservoir via discrete strokes powered by external work. The working medium consists of two two-level systems (TLSs) and two heat reservoirs at different temperatures and is assisted by an auxiliary system acting as a catalyst. Remarkably, the catalyst remains unchanged after each cycle, ensuring that heat extraction is driven entirely by the work input. We show that the presence of the catalyst leads to two significant enhancements: it enables the coefficient of performance (COP) and cooling capacity to exceed the Otto bound and allows the refrigerator to operate in frequency and temperature regimes that are inaccessible without a catalyst. Furthermore, through a comparison with catalytic heat engines, our analysis reveals that two distinct permutation types are necessary to simultaneously enhance the COP and operational range of refrigerators, in contrast to heat engines for which a single permutation suffices. These results highlight the potential of catalytic mechanisms to broaden the operational capabilities of quantum thermal devices and to surpass conventional thermodynamic performance limits. △ Less

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

Comments: 8+5 pages, 9 figures, comments are welcome

Time arrow in open-boundary one-dimensional stochastic dynamics

Authors: Chi-Lun Lee, Yu-Syuan Lin, Pik-Yin Lai

Abstract: We consider the finite-timestep Brownian dynamics of a single particle confined in one dimension, with a nonuniform temperature profile. In such an open-boundary scenario, one cannot observe any net probability current in the nonequilibrium steady state (NESS). On the other hand, the nonequilibrium nature of this system is exhibited through the asymmetry in forward and backward transition probabil… ▽ More We consider the finite-timestep Brownian dynamics of a single particle confined in one dimension, with a nonuniform temperature profile. In such an open-boundary scenario, one cannot observe any net probability current in the nonequilibrium steady state (NESS). On the other hand, the nonequilibrium nature of this system is exhibited through the asymmetry in forward and backward transition probabilities, as is reported in this work through the stochastic simulation analysis and theoretical arguments. The irreversibility becomes prominent nearby the temperature interface. We propose that the observed irreversibility can be accounted for via a virtual-gyration scenario, while the collapse of virtual gyrations upon the one-dimensional coordinate leads to the absence of probability current. △ Less

Submitted 19 July, 2025; v1 submitted 12 July, 2025; originally announced July 2025.

Comments: 8 pages, 4 figures

Strain-Stabilized Interfacial Polarization Tunes Work Function Over 1 eV in RuO2/TiO2 Heterostructures

Authors: Seung Gyo Jeong, Bonnie Y. X. Lin, Mengru Jin, In Hyeok Choi, Seungjun Lee, Zhifei Yang, Sreejith Nair, Rashmi Choudhary, Juhi Parikh, Anand Santhosh, Matthew Neurock, Kelsey A. Stoerzinger, Jong Seok Lee, Tony Low, Qing Tu, James M. LeBeau, Bharat Jalan

Abstract: Interfacial polarization-charge accumulation at the heterointerface-is a well-established tool in semiconductors, but its influence in metals remains unexplored. Here, we demonstrate that interfacial polarization can robustly modulate surface work function in metallic rutile RuO2 layers in epitaxial RuO2/TiO2 heterostructures grown by hybrid molecular beam epitaxy. Using multislice electron ptycho… ▽ More Interfacial polarization-charge accumulation at the heterointerface-is a well-established tool in semiconductors, but its influence in metals remains unexplored. Here, we demonstrate that interfacial polarization can robustly modulate surface work function in metallic rutile RuO2 layers in epitaxial RuO2/TiO2 heterostructures grown by hybrid molecular beam epitaxy. Using multislice electron ptychography, we directly visualize polar displacements of transition metal ions relative to oxygen octahedra near the interface, despite the conductive nature of RuO2. This interfacial polarization enables over 1 eV modulation of the RuO2 work function, controlled by small thickness variation (2-4 nm) as measured by Kelvin probe probe microscopy, with a critical thickness of 4 nm - corresponding to the transition from fully strained to relaxed film. These results establish interfacial polarization as a powerful route to control electronic properties in metals and have implications for designing tunable electronic, catalytic, and quantum devices through interfacial control in polar metallic systems. △ Less

Submitted 10 July, 2025; originally announced July 2025.

Comments: 25 pages, 4 figures

Quantum transport calculations: An effective medium theory based on the projector augmented wave method with the plane-wave basis

Authors: Yi-Cheng Lin, Ken-Ming Lin, Yu-Chang Chen

Abstract: We present an effective medium theory based on density functional theory that is implemented in VASP using the PAW method with a plane wave basis set. The transmission coefficient is derived through three complementary approaches: the current density relation J=nqv, the field operator method, and the nonquilibrium Green's function formalism. We compare transmission coefficients calculated using EM… ▽ More We present an effective medium theory based on density functional theory that is implemented in VASP using the PAW method with a plane wave basis set. The transmission coefficient is derived through three complementary approaches: the current density relation J=nqv, the field operator method, and the nonquilibrium Green's function formalism. We compare transmission coefficients calculated using EMT-PW with results from NEGF-DFT, based on the NanoDCAL package utilizing a linear combination of atomic orbitals (LCAO) basis set, for both periodic and nonperiodic boundary conditions. The minor discrepancies observed are attributed to differences in basis sets, pseudopotentials, and the treatment of lead regions. Notably, the EMT-PW framework avoids the common issue of overcompleteness encountered in non-equilibrium transport theories and allows for the decomposition of the total transmission coefficient into contributions from individual eigenstates. Furthermore, when combined with an effective gate model, EMT-PW is shown to be a powerful tool for analyzing current characteristics in nanodevices under applied gate voltages. By leveraging one-electron wavefunctions in eigenstates, this method provides a robust foundation for exploring the quantum statistics of electrons and current quantum correlations within the second quantization framework. △ Less

Submitted 31 August, 2025; v1 submitted 9 July, 2025; originally announced July 2025.

Comments: 14 pages, 6 Figures

Journal ref: Physical Review B 112, 085155 (2025)

Bilayer graphene as a template for manufacturing novel 2D materials

Authors: Arkady V. Krasheninnikov, Yung-Chang Lin, Kazu Suenaga

Abstract: Recent intensive research on two-dimensional materials (2DMs) rekindle the interest in the intercalation of various atoms and molecules into layered compounds as a tool to manufacture 2DMs and tune their optoelectronic, magnetic and catalytic properties. Intercalation into free-standing bilayer graphene (BLG) has received special attention, as graphene is stable, chemically inert and enables one t… ▽ More Recent intensive research on two-dimensional materials (2DMs) rekindle the interest in the intercalation of various atoms and molecules into layered compounds as a tool to manufacture 2DMs and tune their optoelectronic, magnetic and catalytic properties. Intercalation into free-standing bilayer graphene (BLG) has received special attention, as graphene is stable, chemically inert and enables one to study the atomic structure of the intercalated 2DM using high-resolution transmission electron microscopy. It was also discovered that the protecting action of graphene sheets makes it possible to not only stabilize the encapsulated single sheets of marginally stable layered materials, but also synthesize completely new 2D systems inside BLG, which in comparison to the bulk graphite allows for easier intercalation and much larger increase in the inter-layer separation of the sheets. In this review, we summarize the recent progress in this area, with a special focus on new materials created inside BLG. We compare the experimental findings to the theoretical predictions, pay special attention to the discrepancies and outline the challenges in the field. Finally, we discuss unique opportunities offered by the intercalation into 2DMs beyond graphene and their heterostructures. △ Less

Submitted 8 July, 2025; originally announced July 2025.

Defect migration and phase transformations in 2D iron chloride inside bilayer graphene

Authors: Qiunan Liu, Haiming Sun, Yung-Chang Lin, Mahdi Ghorbani-Asl, Silvan Kretschmer, Chi-Chun Cheng, Po-Wen Chiu, Hiroki Ago, Arkady V. Krasheninnikov, Kazu Suenaga

Abstract: The intercalation of metal chlorides, and particularly iron chlorides, into graphitic carbon structures has recently received lots of attention, as it can not only protect this two-dimensional (2D) magnetic system from the effects of the environment, but also substantially alter the magnetic, electronic, and optical properties of both intercalant and host material. At the same time, the intercalat… ▽ More The intercalation of metal chlorides, and particularly iron chlorides, into graphitic carbon structures has recently received lots of attention, as it can not only protect this two-dimensional (2D) magnetic system from the effects of the environment, but also substantially alter the magnetic, electronic, and optical properties of both intercalant and host material. At the same time, the intercalation can result in the formation of structural defects, or defects can appear under external stimuli, which can affect materials performance. These aspects have received so far little attention in the dedicated experiments. In this study, we investigate the behavior of atomic-scale defects in iron chlorides intercalated into bilayer graphene (BLG) by using scanning transmission electron microscopy (STEM) and first-principles calculations. We observe transformations between the FeCl2 and FeCl3 phases and elucidate the role of defects in the transformations. Specifically, three types of defects are identified: Fe vacancies in FeCl2 domains, Fe adatoms and interstitials in FeCl3 domains, each exhibiting distinct dynamic behaviors. We also observed a crystalline phase with an unusual stoichiometry of Fe5Cl18 which has not been reported before. Our findings not only advance the understanding of intercalation mechanism of 2D materials but also highlight the profound impact of atomic-scale defects on their properties and potential technological applications. △ Less

Submitted 8 July, 2025; originally announced July 2025.

Direct observation of locally modified excitonic effect within a moiré unit cell in twisted bilayer graphene

Authors: Ming Liu, Ryosuke Senga, Masanori Koshino, Yung-Chang Lin, Kazu Suenaga

Abstract: Bilayer graphene, forming moiré superlattices, possesses distinct electronic and optical properties derived from the hybridization of energy band and the emergence of van Hove singularities depending on its twist angle. Extensive research has been conducted on the global characteristics of moiré superlattice induced by long-range periodicity. However, limited attention has been given to the local… ▽ More Bilayer graphene, forming moiré superlattices, possesses distinct electronic and optical properties derived from the hybridization of energy band and the emergence of van Hove singularities depending on its twist angle. Extensive research has been conducted on the global characteristics of moiré superlattice induced by long-range periodicity. However, limited attention has been given to the local properties within a moiré unit cell, which undoubtedly differ due to the variations in three-dimensional atomic arrangement. Here we demonstrate the highly localized excitations of carbon 1s electrons to unoccupied van Hove singularities in a twisted bilayer graphene using an electron energy loss spectroscopy based on a monochromated transmission electron microscope. The core-level excitations associated with the van Hove singularities show a systematic twist angle dependence which is analogous to the optical excitations. Furthermore, local variations in those core-level van Hove singularity peaks within a moiré unit cell have been corroborated for the first time, which can originate from core-exciton lifetimes and band modifications influenced by the local stacking geometry. △ Less

Submitted 7 July, 2025; originally announced July 2025.

Comments: 33 pages with 4 figures for maintext and 5 pages with 3 figures for supporting information

Journal ref: ACS Nano 17 (2023) 18433-18440

1/ f noise and two-level systems in MBE-grown Al thin films

Authors: Shouray Kumar Sahu, Yen-Hsun Glen Lin, Kuan-Hui Lai, Chao-Kai Cheng, Chun-Wei Wu, Elica Anne Heredia, Ray-Tai Wang, Yen-Hsiang Lin, Juainai Kwo, Minghwei Hong, Juhn-Jong Lin, Sheng-Shiuan Yeh

Abstract: Aluminum thin films are essential to the functionalities of electronic and quantum devices, where two-level systems (TLS) can degrade device performance. MBE-grown Al films may appeal to these applications due to their low TLS densities. We studied the energy distributions of TLS densities, g(E), in 10-nm-thick MBE-grown and electron-beam evaporated Al films through 1/f noise measurements between… ▽ More Aluminum thin films are essential to the functionalities of electronic and quantum devices, where two-level systems (TLS) can degrade device performance. MBE-grown Al films may appeal to these applications due to their low TLS densities. We studied the energy distributions of TLS densities, g(E), in 10-nm-thick MBE-grown and electron-beam evaporated Al films through 1/f noise measurements between 80 and 360 K. At 300 K, the noise magnitudes in MBE-grown films are about three times lower than in the electron-beam evaporated films, corresponding to the g(E) values about ten times lower in the former than in the latter. Compared with previously established observations, we identified that the 1/f noise was generated by thermally activated TLS at grain boundaries. △ Less

Submitted 2 July, 2025; originally announced July 2025.

Comments: 6 pages, 5 figures

Journal ref: APL Mater. 13, 071120 (2025)

Spontaneous emergence of altermagnetism in the single-orbital extended Hubbard model

Authors: Jin-Wei Dong, Yu-Han Lin, Ruiqing Fu, Xianxin Wu, Gang Su, Ziqiang Wang, Sen Zhou

Abstract: Altermagnetism (AM), the recently discovered third class of collinear magnetic order, is characterized by non-relativistic momentum-dependent spin-split electronic structure with compensated zero net magnetization. It can arise from the conventional antiferromagnetism by introducing local anisotropy on the two opposite-spin sublattices, either through structural changes in local crystallographic s… ▽ More Altermagnetism (AM), the recently discovered third class of collinear magnetic order, is characterized by non-relativistic momentum-dependent spin-split electronic structure with compensated zero net magnetization. It can arise from the conventional antiferromagnetism by introducing local anisotropy on the two opposite-spin sublattices, either through structural changes in local crystallographic symmetry or spontaneous emergence of local staggered orbital order from electron correlations in multi-orbital systems. Here, we demonstrate on the two-dimensional square lattice that a $d$-wave AM can emerge spontaneously in the single-orbital extended Hubbard model, without invoking the spin-orbital coupling and multi-orbital physics. We carry out mean-field studies on the concrete single-orbital $t$-$U$-$V$ model with $U$ and $V$ the onsite and nearest-neighbor Coulomb interactions, obtaining the ground states, analyzing their properties, and determining the phase diagram in the $U$-$V$ plane. The $d$-wave AM with novel spin-transport behavior is found to be stabilized in a wide region of the phase diagram when the system is doped away from half-filling, actualized by the coexistence of onsite antiferromagnetic order and complex $d$-wave nearest-neighbor spin bond orders. Our findings provide an alternative route to achieve AM and substantially expand the range of candidate AM materials. △ Less

Submitted 1 July, 2025; originally announced July 2025.

Comments: 7 pages, 3 figures

Acoustic-Driven Surface Cleaning with Millimeter-Sized Bubbles at Translational Resonance

Authors: Yan Jun Lin, Zhengyang Liu, Sunghwan Jung

Abstract: Traditional surface cleaning methods often suffer from drawbacks such as chemical harshness, potential for surface damage, and high energy consumption. This study investigates an alternative approach: acoustic-driven surface cleaning using millimeter-sized bubbles excited at low, sub-cavitation frequencies. We identify and characterize a distinct translational resonance of these bubbles, occurring… ▽ More Traditional surface cleaning methods often suffer from drawbacks such as chemical harshness, potential for surface damage, and high energy consumption. This study investigates an alternative approach: acoustic-driven surface cleaning using millimeter-sized bubbles excited at low, sub-cavitation frequencies. We identify and characterize a distinct translational resonance of these bubbles, occurring at significantly lower frequencies (e.g., 50 Hz for 1.3 mm diameter bubbles) than the Minnaert resonance for a bubble of the same size. Experiments reveal that at this translational resonance, stationary bubbles exhibit amplified lateral swaying, while bubbles sliding on an inclined surface display pronounced "stop-and-go" dynamics. The theoretical model treats the bubble as a forced, damped harmonic oscillator, where surface tension provides the restoring force and the inertia is dominated by the hydrodynamic added mass of the surrounding fluid. It accurately predicts the observed resonant frequency scaling with bubble size ($\propto R_0^{-3/2}$). Cleaning efficacy, assessed using protein-based artificial soil on glass slides, was improved by approximately 90\% when bubbles were driven at their translational resonant frequency compared to off-resonant frequencies or non-acoustic conditions. These findings demonstrate that leveraging translational resonance enhances bubble-induced shear and agitation, offering an effective and sustainable mechanism for surface cleaning. △ Less

Submitted 6 June, 2025; originally announced June 2025.

Comments: 22 pages, 6 figures, presented at the 78th Annual Meeting of the APS Division of Fluid Dynamics

Discrete Spatial Diffusion: Intensity-Preserving Diffusion Modeling

Authors: Javier E. Santos, Agnese Marcato, Roman Colman, Nicholas Lubbers, Yen Ting Lin

Abstract: Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result, they are fundamentally ill-suited for applications involving inherently discrete quantities-such as particle counts or material units-that are constrained by stri… ▽ More Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result, they are fundamentally ill-suited for applications involving inherently discrete quantities-such as particle counts or material units-that are constrained by strict conservation laws like mass conservation, limiting their applicability in scientific workflows. To address this limitation, we propose Discrete Spatial Diffusion (DSD), a framework based on a continuous-time, discrete-state jump stochastic process that operates directly in discrete spatial domains while strictly preserving particle counts in both forward and reverse diffusion processes. By using spatial diffusion to achieve particle conservation, we introduce stochasticity naturally through a discrete formulation. We demonstrate the expressive flexibility of DSD by performing image synthesis, class conditioning, and image inpainting across standard image benchmarks, while exactly conditioning total image intensity. We validate DSD on two challenging scientific applications: porous rock microstructures and lithium-ion battery electrodes, demonstrating its ability to generate structurally realistic samples under strict mass conservation constraints, with quantitative evaluation using state-of-the-art metrics for transport and electrochemical performance. △ Less

Submitted 16 May, 2025; v1 submitted 3 May, 2025; originally announced May 2025.

System of Agentic AI for the Discovery of Metal-Organic Frameworks

Authors: Theo Jaffrelot Inizan, Sherry Yang, Aaron Kaplan, Yen-hsu Lin, Jian Yin, Saber Mirzaei, Mona Abdelgaid, Ali H. Alawadhi, KwangHwan Cho, Zhiling Zheng, Ekin Dogus Cubuk, Christian Borgs, Jennifer T. Chayes, Kristin A. Persson, Omar M. Yaghi

Abstract: Generative models and machine learning promise accelerated material discovery in MOFs for CO2 capture and water harvesting but face significant challenges navigating vast chemical spaces while ensuring synthetizability. Here, we present MOFGen, a system of Agentic AI comprising interconnected agents: a large language model that proposes novel MOF compositions, a diffusion model that generates crys… ▽ More Generative models and machine learning promise accelerated material discovery in MOFs for CO2 capture and water harvesting but face significant challenges navigating vast chemical spaces while ensuring synthetizability. Here, we present MOFGen, a system of Agentic AI comprising interconnected agents: a large language model that proposes novel MOF compositions, a diffusion model that generates crystal structures, quantum mechanical agents that optimize and filter candidates, and synthetic-feasibility agents guided by expert rules and machine learning. Trained on all experimentally reported MOFs and computational databases, MOFGen generated hundreds of thousands of novel MOF structures and synthesizable organic linkers. Our methodology was validated through high-throughput experiments and the successful synthesis of five "AI-dreamt" MOFs, representing a major step toward automated synthesizable material discovery. △ Less

Submitted 18 April, 2025; originally announced April 2025.

Vibration-assisted tunneling through single Au adatoms on two-dimensional WSe2

Authors: Hitesh Kumar, Yu-Chuan Lin, Joshua A. Robinson, Stefan Fölsch

Abstract: Scanning tunneling microscopy (STM) at 5 K was used to study individual Au atoms adsorbed on the surface of a WSe2 layer grown on epitaxial graphene. In line with theoretical predictions, scanning tunneling spectroscopy measurements reveal that the weakly bound adatom gives rise to an electronic state within the energy band gap of the WSe2 layer. Adatoms in different surface locations show differe… ▽ More Scanning tunneling microscopy (STM) at 5 K was used to study individual Au atoms adsorbed on the surface of a WSe2 layer grown on epitaxial graphene. In line with theoretical predictions, scanning tunneling spectroscopy measurements reveal that the weakly bound adatom gives rise to an electronic state within the energy band gap of the WSe2 layer. Adatoms in different surface locations show different gap-state energy values that follow a random distribution around the Fermi level of the sample with a standard deviation of ~50 meV. The location-dependent shift is attributed to spatial variations in disorder potential. Tunneling via the gap state is accompanied by vibrational excitations as apparent from pronounced sideband peaks in the conductance spectra with Poisson-distributed intensities indicating significant electron-phonon coupling with a Huang-Rhys factor of S=2.8. STM tunneling through single Au adatoms on two-dimensional WSe2 constitutes a model case of resonant double-barrier tunneling accompanied by strong coupling to vibrational degrees of freedom. △ Less

Submitted 15 August, 2025; v1 submitted 16 April, 2025; originally announced April 2025.

Comments: Main text: 19 pages plus 7 figures; Supplemental Material: 3 pages plus 2 figures

Journal ref: Phys. Rev. B 112, 085414 (2025)

Design Optimization of Flip FET Standard Cells with Dual-sided Pins for Ultimate Scaling

Authors: Rui Gui, Haoran Lu, Jiacheng Sun, Xun Jiang, Lining Zhang, Ming Li, Yibo Lin, Runsheng Wang, Heng Wu, Ru Huang

Abstract: Recently, we proposed a novel transistor architecture for 3D stacked FETs called Flip FET (FFET), featuring N/P transistors back-to-back stacked and dual-sided interconnects. With dual-sided power rails and signal tracks, FFET can achieve an aggressive 2.5T cell height. As a tradeoff, the complex structure and limited numbers of M0 tracks could limit the standard cell design. As a solution, multip… ▽ More Recently, we proposed a novel transistor architecture for 3D stacked FETs called Flip FET (FFET), featuring N/P transistors back-to-back stacked and dual-sided interconnects. With dual-sided power rails and signal tracks, FFET can achieve an aggressive 2.5T cell height. As a tradeoff, the complex structure and limited numbers of M0 tracks could limit the standard cell design. As a solution, multiple innovations were introduced and examined in this work. Based on an advanced node design rule, several unique building blocks in FFET such as drain merge (DM), gate merge (GM), field drain merge (FDM) and buried signal track (BST) were investigated. Other key design concepts of multi-row, split gate and dummy gate insertion (DG) were also carefully studied, delivering around 35.6% area reduction compared with 3T CFET. Furthermore, the symmetric design of FFET has unique superiority over CFET thanks to the separate N/P logic on two sides of the wafer and their connections using DM and GM. New routing scheme with dual-sided output pins on both wafer frontside (FS) and backside (BS) was proposed for the first time. Finally, we conducted a comprehensive evaluation on complex cell design, taking AOI22 as an example. New strategies were proposed and examined. The FDM design is identified as the best, outperforming the BST and dummy gate design by 1.93% and 5.13% for the transition delay. △ Less

Submitted 14 April, 2025; originally announced April 2025.

Comments: Accepted by IEEE Transactions on Electron Devices

Scaling Laws of Graph Neural Networks for Atomistic Materials Modeling

Authors: Chaojian Li, Zhifan Ye, Massimiliano Lupo Pasini, Jong Youl Choi, Cheng Wan, Yingyan Celine Lin, Prasanna Balaprakash

Abstract: Atomistic materials modeling is a critical task with wide-ranging applications, from drug discovery to materials science, where accurate predictions of the target material property can lead to significant advancements in scientific discovery. Graph Neural Networks (GNNs) represent the state-of-the-art approach for modeling atomistic material data thanks to their capacity to capture complex relatio… ▽ More Atomistic materials modeling is a critical task with wide-ranging applications, from drug discovery to materials science, where accurate predictions of the target material property can lead to significant advancements in scientific discovery. Graph Neural Networks (GNNs) represent the state-of-the-art approach for modeling atomistic material data thanks to their capacity to capture complex relational structures. While machine learning performance has historically improved with larger models and datasets, GNNs for atomistic materials modeling remain relatively small compared to large language models (LLMs), which leverage billions of parameters and terabyte-scale datasets to achieve remarkable performance in their respective domains. To address this gap, we explore the scaling limits of GNNs for atomistic materials modeling by developing a foundational model with billions of parameters, trained on extensive datasets in terabyte-scale. Our approach incorporates techniques from LLM libraries to efficiently manage large-scale data and models, enabling both effective training and deployment of these large-scale GNN models. This work addresses three fundamental questions in scaling GNNs: the potential for scaling GNN model architectures, the effect of dataset size on model accuracy, and the applicability of LLM-inspired techniques to GNN architectures. Specifically, the outcomes of this study include (1) insights into the scaling laws for GNNs, highlighting the relationship between model size, dataset volume, and accuracy, (2) a foundational GNN model optimized for atomistic materials modeling, and (3) a GNN codebase enhanced with advanced LLM-based training techniques. Our findings lay the groundwork for large-scale GNNs with billions of parameters and terabyte-scale datasets, establishing a scalable pathway for future advancements in atomistic materials modeling. △ Less

Submitted 10 April, 2025; originally announced April 2025.

Comments: Accepted by DAC'25

Random quantum Ising model with three-spin couplings

Authors: Ferenc Iglói, Yu-Cheng Lin

Abstract: We apply a real-space block renormalization group approach to study the critical properties of the random transverse-field Ising spin chain with multispin interactions. First we recover the known properties of the traditional model with two-spin interactions by applying the renormalization approach for arbitrary size of the block. For the model with three-spin couplings we calculate the critical p… ▽ More We apply a real-space block renormalization group approach to study the critical properties of the random transverse-field Ising spin chain with multispin interactions. First we recover the known properties of the traditional model with two-spin interactions by applying the renormalization approach for arbitrary size of the block. For the model with three-spin couplings we calculate the critical point and demonstrate that the phase transition is controlled by an infinite disorder fixed point. We have determined the typical correlation-length critical exponent, which seems to be different from that of the random transverse Ising chain with nearest-neighbor couplings. Thus this model represents a new infinite disorder universality class. △ Less

Submitted 24 March, 2025; originally announced March 2025.

Comments: 12 pages, 2 figures

Journal ref: Entropy 2024, 26, 709

Realization of fermionic Laughlin state on a quantum processor

Authors: Lingnan Shen, Mao Lin, Cedric Yen-Yu Lin, Di Xiao, Ting Cao

Abstract: Strongly correlated topological phases of matter are central to modern condensed matter physics and quantum information technology but often challenging to probe and control in material systems. The experimental difficulty of accessing these phases has motivated the use of engineered quantum platforms for simulation and manipulation of exotic topological states. Among these, the Laughlin state sta… ▽ More Strongly correlated topological phases of matter are central to modern condensed matter physics and quantum information technology but often challenging to probe and control in material systems. The experimental difficulty of accessing these phases has motivated the use of engineered quantum platforms for simulation and manipulation of exotic topological states. Among these, the Laughlin state stands as a cornerstone for topological matter, embodying fractionalization, anyonic excitations, and incompressibility. Although its bosonic analogs have been realized on programmable quantum simulators, a genuine fermionic Laughlin state has yet to be demonstrated on a quantum processor. Here, we realize the ν = 1/3 fermionic Laughlin state on IonQ's Aria-1 trapped-ion quantum computer using an efficient and scalable Hamiltonian variational ansatz with 369 two-qubit gates on a 16-qubit circuit. Employing symmetry-verification error mitigation, we extract key observables that characterize the Laughlin state, including correlation hole and chiral edge modes, with strong agreement to exact diagonalization benchmarks. This work establishes a scalable quantum framework to simulate material-intrinsic topological orders and provides a starting point to explore its dynamics and excitations on digital quantum processors. △ Less

Submitted 17 March, 2025; originally announced March 2025.

Automatic Characterization of Fluxonium Superconducting Qubits Parameters with Deep Transfer Learning

Authors: Huan-Hsuan Kung, Chen-Yu Liu, Qian-Rui Lee, Chiang-Yuan Hu, Yu-Chi Chang, Ching-Yeh Chen, Daw-Wei Wang, Yen-Hsiang Lin

Abstract: Accurate determination of qubit parameters is critical for the successful implementation of quantum information and computation applications. In solid state systems, the parameters of individual qubits vary across the entire system, requiring time consuming measurements and manual fitting processes for characterization. Recent developed superconducting qubits, such as fluxonium or 0-pi qubits, off… ▽ More Accurate determination of qubit parameters is critical for the successful implementation of quantum information and computation applications. In solid state systems, the parameters of individual qubits vary across the entire system, requiring time consuming measurements and manual fitting processes for characterization. Recent developed superconducting qubits, such as fluxonium or 0-pi qubits, offer improved fidelity operations but exhibit a more complex physical and spectral structure, complicating parameter extraction. In this work, we propose a machine learning (ML)based methodology for the automatic and accurate characterization of fluxonium qubit parameters. Our approach utilized the energy spectrum calculated by a model Hamiltonian with various magnetic fields, as training data for the ML model. The output consists of the essential fluxonium qubit energy parameters, EJ, EC, and EL in Hamiltonian. The ML model achieves remarkable accuracy (with an average accuracy 95.6%) as an initial guess, enabling the development of an automatic fitting procedure for direct application to realistic experimental data. Moreover, we demonstrate that similar accuracy can be retrieved even when the input experimental spectrum is noisy or incomplete, highlighting the model robustness. These results suggest that our automated characterization method, based on a transfer learning approach, provides a reliable framework for future extensions to other superconducting qubits or different solid-state systems. Ultimately, we believe this methodology paves the way for the construction of large-scale quantum processors. △ Less

Submitted 15 March, 2025; originally announced March 2025.

Comments: 11 pages, 7 figures

Odd-parity altermagnetism through sublattice currents: From Haldane-Hubbard model to general bipartite lattices

Authors: Yu-Ping Lin

Abstract: We propose the sublattice currents as a feasible route to odd-parity altermagnetism (ALM), where nonrelativistic collinear spin splitting occurs in the bands as an odd function of momentum. In contrast to previously classified ALMs, the sublattice currents break the time-reversal symmetry in nonmagnetic crystal structures and allow for such odd-parity spin splitting. A representative example is th… ▽ More We propose the sublattice currents as a feasible route to odd-parity altermagnetism (ALM), where nonrelativistic collinear spin splitting occurs in the bands as an odd function of momentum. In contrast to previously classified ALMs, the sublattice currents break the time-reversal symmetry in nonmagnetic crystal structures and allow for such odd-parity spin splitting. A representative example is the Haldane-Hubbard model at half filling. Although the compensated collinear magnetic ground state was previously recognized as antiferromagnetism, we show that sublattice currents induce spin splitting in the bands and therefore turn it into an odd-parity ALM. Interestingly, its topological version serves as an example of ALM Chern insulator. We further generalize the Haldane-Hubbard model to common two- and three-dimensional bipartite lattices. With spin splitting from sublattice currents, the compensated collinear magnetic ground states at half filling are generally odd-parity ALM. △ Less

Submitted 12 March, 2025; originally announced March 2025.

Comments: 6 pages, 3 figures

Robust Super-Moiré in Large Angle Single-Twist Bilayers

Authors: Yanxing Li, Chuqiao Shi, Fan Zhang, Xiaohui Liu, Yuan Xue, Viet-Anh Ha, Qiang Gao, Chengye Dong, Yu-chuan Lin, Luke N Holtzman, Nicolas Morales-Durán, Hyunsue Kim, Yi Jiang, Madisen Holbrook, James Hone, Katayun Barmak, Joshua Robinson, Xiaoqin Li, Feliciano Giustino, Eslam Khalaf, Yimo Han, Chih-Kang Shih

Abstract: Forming long wavelength moiré superlattices (MSL) at small-angle twist van der Waals (vdW) bilayers has been a key approach to creating moiré flat bands. The small-angle twist, however, leads to strong lattice reconstruction, causing domain walls and moiré disorders, which pose considerable challenges in engineering such platforms. At large twist angles, the rigid lattices render a more robust, bu… ▽ More Forming long wavelength moiré superlattices (MSL) at small-angle twist van der Waals (vdW) bilayers has been a key approach to creating moiré flat bands. The small-angle twist, however, leads to strong lattice reconstruction, causing domain walls and moiré disorders, which pose considerable challenges in engineering such platforms. At large twist angles, the rigid lattices render a more robust, but shorter wavelength MSL, making it difficult to engineer flat bands. Here, we depict a novel approach to tailoring robust super-moiré (SM) structures that combines the advantages of both small-twist and large-twist transition metal dichalcogenides (TMDs) bilayers using only a single twist angle near a commensurate angle. Structurally, we unveil the spontaneous formation of a periodic arrangement of three inequivalent commensurate moiré (CM) stacking, where the angle deviation from the commensurate angle can tune the periodicity. Electronically, we reveal a large set of van Hove singularities (VHSs) that indicate strong band hybridization, leading to flat bands near the valence band maximum. Our study paves the way for a new platform of robust SM bilayers with structural rigidity and controllable wavelength, extending the investigation of the interplay among band topology, quantum geometry, and moiré superconductivity to the large twist angle regime. △ Less

Submitted 24 February, 2025; v1 submitted 17 February, 2025; originally announced February 2025.

Atom identification in bilayer moire materials with Gomb-Net

Authors: Austin C. Houston, Sumner B. Harris, Hao Wang, Yu-Chuan Lin, David B. Geohegan, Kai Xiao, Gerd Duscher

Abstract: Moire patterns in van der Waals bilayer materials complicate the analysis of atomic-resolution images, hindering the atomic-scale insight typically attainable with scanning transmission electron microscopy. Here, we report a method to detect the positions and identities of atoms in each of the individual layers that compose twisted bilayer heterostructures. We developed a deep learning model, Gomb… ▽ More Moire patterns in van der Waals bilayer materials complicate the analysis of atomic-resolution images, hindering the atomic-scale insight typically attainable with scanning transmission electron microscopy. Here, we report a method to detect the positions and identities of atoms in each of the individual layers that compose twisted bilayer heterostructures. We developed a deep learning model, Gomb-Net, which identifies the coordinates and atomic species in each layer, effectively deconvoluting the moire pattern. This enables layer-specific mapping of quantities like strain and dopant distributions, unlike other commonly used segmentation models which struggle with moire-induced complexity. Using this approach, we explored the Se atom substitutional site distribution in a twisted fractional Janus WS2-WS2(1-x)Se2x heterostructure and found that layer-specific implantation sites are unaffected by the moire pattern's local energetic or electronic modulation. This advancement enables atom identification within material regimes where it was not possible before, opening new insights into previously inaccessible material physics. △ Less

Submitted 26 February, 2025; v1 submitted 13 February, 2025; originally announced February 2025.

Unifying shear thinning behaviors of meso-scaled particle suspensions

Authors: Yuan Lin, Peiwen Lin, Yixuan Liang, Dingyi Pan

Abstract: The rheology of suspensions with meso-scaled particles [with size of $O(10^2)\ \text{nm}$ to $O(10)\ μ\text{m}$] is intriguing since significant non-Newtonian behaviors are widely observed although the thermal fluctuation (Brownain motion) of the meso-scaled particles is negligible. Here, we show that the linear constitutive relation for such systems fails due to a flow-induced particle aggregatio… ▽ More The rheology of suspensions with meso-scaled particles [with size of $O(10^2)\ \text{nm}$ to $O(10)\ μ\text{m}$] is intriguing since significant non-Newtonian behaviors are widely observed although the thermal fluctuation (Brownain motion) of the meso-scaled particles is negligible. Here, we show that the linear constitutive relation for such systems fails due to a flow-induced particle aggregation, which originates from the inherent inter-particle interactions, e.g., the weakly adhesive van der Waals interaction. This accounts for the temporal evolution of the rheological property in both steady and oscillatory shear flows. A dimensionless number that measures the importance of the hydrodynamic interaction in shear flow with respect to the inter-particle interaction, {is} proposed, through which the non-linear constitutive relation for suspensions with various particle sizes, particle concentrations, as well as flow conditions could be unified. This investigation bridge \mdf{the gap between micro- and macro-scaled suspension systems} and make the rheology of the meso-scaled suspensions predictable. △ Less

Submitted 6 February, 2025; originally announced February 2025.

A Tale of Two Sides of Wafer: Physical Implementation and Block-Level PPA on Flip FET with Dual-sided Signals

Authors: Haoran Lu, Xun Jiang, Yanbang Chu, Ziqiao Xu, Rui Guo, Wanyue Peng, Yibo Lin, Runsheng Wang, Heng Wu, Ru Huang

Abstract: As the conventional scaling of logic devices comes to an end, functional wafer backside and 3D transistor stacking are consensus for next-generation logic technology, offering considerable design space extension for powers, signals or even devices on the wafer backside. The Flip FET (FFET), a novel transistor architecture combining 3D transistor stacking and fully functional wafer backside, was re… ▽ More As the conventional scaling of logic devices comes to an end, functional wafer backside and 3D transistor stacking are consensus for next-generation logic technology, offering considerable design space extension for powers, signals or even devices on the wafer backside. The Flip FET (FFET), a novel transistor architecture combining 3D transistor stacking and fully functional wafer backside, was recently proposed. With symmetric dual-sided standard cell design, the FFET can deliver around 12.5% cell area scaling and faster but more energy-efficient libraries beyond other stacked transistor technologies such as CFET. Besides, thanks to the novel cell design with dual-sided pins, the FFET supports dual-sided signal routing, delivering better routability and larger backside design space. In this work, we demonstrated a comprehensive FFET evaluation framework considering physical implementation and block-level power-performance-area (PPA) assessment for the first time, in which key functions are dual-sided routing and dual-sided RC extraction. A 32-bit RISC-V core was used for the evaluation here. Compared to the CFET with single-sided signals, the FFET with single-sided signals achieved 23.3% post-P&R core area reduction, 25.0% higher frequency and 11.9% lower power at the same utilization, and 16.0 % higher frequency at the same core area. Meanwhile, the FFET supports dual-sided signals, which can further benefit more from flexible allocation of cell input pins on both sides. By optimizing the input pin density and BEOL routing layer number on each side, 10.6% frequency gain was realized without power degradation compared to the one with single-sided signal routing. Moreover, the routability and power efficiency of FFET barely degrades even with the routing layer number reduced from 12 to 5 on each side, validating the great space for cost-friendly design enabled by FFET. △ Less

Submitted 25 January, 2025; originally announced January 2025.

Comments: Accepted by DATE 2025

Journal ref: Proc. of DATE 2025

Downscaling of non van der Waals Semimetallic W5N6 with Resistivity Preservation

Authors: Hongze Gao, Da Zhou, Lu Ping, Zifan Wang, Nguyen Tuan Hung, Jun Cao, Michael Geiwitz, Gabriel Natale, Yuxuan Cosmi Lin, Kenneth Stephen Burch, Riichiro Saito, Mauricio Terrones, Xi Ling

Abstract: The bulk phase of transition metal nitrides (TMNs) has long been a subject of extensive investigation due to their utility as coating materials, electrocatalysts, and diffusion barriers, attributed to their high conductivity and refractory properties. Downscaling TMNs into two-dimensional (2D) forms would provide valuable members to the existing 2D materials repertoire, with potential enhancements… ▽ More The bulk phase of transition metal nitrides (TMNs) has long been a subject of extensive investigation due to their utility as coating materials, electrocatalysts, and diffusion barriers, attributed to their high conductivity and refractory properties. Downscaling TMNs into two-dimensional (2D) forms would provide valuable members to the existing 2D materials repertoire, with potential enhancements across various applications. Moreover, calculations have anticipated the emergence of uncommon physical phenomena in TMNs at the 2D limit. In this study, we use the atomic substitution approach to synthesize 2D W5N6 with tunable thicknesses from tens of nanometers down to 2.9 nm. The obtained flakes exhibit high crystallinity and smooth surfaces. Electrical measurements on 15 samples show an average electrical conductivity of 161.1 S/cm, which persists while thickness decreases from 45.6 nm to 2.9 nm. The observed weak gate tuning effect suggests the semimetallic nature of the synthesized 2D W5N6. Further investigation into the conversion mechanism elucidates the crucial role of chalcogen vacancies in the precursor for initiating the reaction and strain in propagating the conversion. Our work introduces a desired semimetallic crystal to the 2D material library with mechanistic insights for future design of the synthesis. △ Less

Submitted 30 December, 2024; originally announced December 2024.

Comments: 5 figures in main text

A Recursive Hybrid Tetrahedron Method for Brillouin-zone Integration

Authors: Kun Dong, Yihao Lin, Xiaoqiang Liu, Jiechao Feng, Ji Feng

Abstract: A recursive extension of the hybrid tetrahedron method for Brillouin-zone integration is proposed, allowing iterative tetrahedron refinement and significantly reducing the error from the linear tetrahedron method. The Brillouin-zone integral is expressed as a weighted sum on the initial grid, with integral weights collected recursively from the finest grid. Our method is capable of simultaneously… ▽ More A recursive extension of the hybrid tetrahedron method for Brillouin-zone integration is proposed, allowing iterative tetrahedron refinement and significantly reducing the error from the linear tetrahedron method. The Brillouin-zone integral is expressed as a weighted sum on the initial grid, with integral weights collected recursively from the finest grid. Our method is capable of simultaneously handling multiple singularities in the integrand and thus may provide practical solutions to various Brillouin-zone integral tasks encountered in realistic calculations, including the computation of response and spectral function with superior sampling convergence. We demonstrate its effectiveness through numerical calculations of the density response functions of two model Hamiltonians and one real material system, the face-centered cubic cobalt. △ Less

Submitted 26 November, 2024; originally announced November 2024.

Comments: 15 pages, 6 figures

Ultrafast optical control of charge orders in kagome metals

Authors: Yu-Ping Lin, Vidya Madhavan, Joel E. Moore

Abstract: We show that ultrafast optical pump pulses provide effective control over charge orders in the kagome metals $A$V$_3$Sb$_5$ with $A=$ K, Rb, and Cs. Starting from the real charge density waves (rCDWs) at the $p$-type Van Hove singularity, we conduct a thorough analysis of the post-pump dynamics by time-dependent Hartree-Fock theory. Our analysis uncovers distinct dynamical phenomena under linearly… ▽ More We show that ultrafast optical pump pulses provide effective control over charge orders in the kagome metals $A$V$_3$Sb$_5$ with $A=$ K, Rb, and Cs. Starting from the real charge density waves (rCDWs) at the $p$-type Van Hove singularity, we conduct a thorough analysis of the post-pump dynamics by time-dependent Hartree-Fock theory. Our analysis uncovers distinct dynamical phenomena under linearly and circularly polarized pumps. Linearly polarized pumps induce directional preferences in the rCDWs, accompanied by an enhancement in the flat band. Unexpectedly, charge nematicity also emerges and receives maximal enhancement at a resonant pump frequency, which we understand with a Rabi-oscillation-like model. On the other hand, circularly polarized pumps suppress the rCDWs uniformly and triggers imaginary CDWs (iCDWs) with charge loop currents. Our results can be directly compared to the pump-probe experiments on the kagome metals $A$V$_3$Sb$_5$. △ Less

Submitted 15 November, 2024; originally announced November 2024.

Comments: 7+19 pages, 6+7 figures

From Flip FET to Flip 3D Integration (F3D): Maximizing the Scaling Potential of Wafer Both Sides Beyond Conventional 3D Integration

Authors: Heng Wu, Haoran Lu, Wanyue Peng, Ziqiao Xu, Yanbang Chu, Jiacheng Sun, Falong Zhou, Jack Wu, Lijie Zhang, Weihai Bu, Jin Kang, Ming Li, Yibo Lin, Runsheng Wang, Xin Zhang, Ru Huang

Abstract: In this work, we proposed a new 3D integration technology: the Flip 3D integration (F3D), consisting of the 3D transistor stacking, the 3D dual-sided interconnects, the 3D die-to-die stacking and the dual-sided Monolithic 3D (M3D). Based on a 32-bit FFET RISCV core, besides the scaling benefits of the Flip FET (FFET), the dual-sided signal routing shows even more routing flexibility with 6.8% area… ▽ More In this work, we proposed a new 3D integration technology: the Flip 3D integration (F3D), consisting of the 3D transistor stacking, the 3D dual-sided interconnects, the 3D die-to-die stacking and the dual-sided Monolithic 3D (M3D). Based on a 32-bit FFET RISCV core, besides the scaling benefits of the Flip FET (FFET), the dual-sided signal routing shows even more routing flexibility with 6.8% area reduction and 5.9% EDP improvement. Novel concepts of Multi-Flipping processes (Double Flips and Triple Flips) were proposed to relax the thermal budget constraints in the F3D and thus support the dual-sided M3D in the F3D. The core's EDP and frequency are improved by up to 3.2% and 2.3% respectively, after BEOL optimizations based on the Triple Flips compared with unoptimized ones. △ Less

Submitted 31 October, 2024; originally announced November 2024.

Comments: Accepted by EDTM 2025

Journal ref: Proc. of EDTM 2025

Observation of anomalous information scrambling in a Rydberg atom array

Authors: Xinhui Liang, Zongpei Yue, Yu-Xin Chao, Zhen-Xing Hua, Yige Lin, Meng Khoon Tey, Li You

Abstract: Quantum information scrambling, which describes the propagation and effective loss of localinformation, is crucial for understanding the dynamics of quantum many-body systems. We report the observation of anomalous information scrambling in an atomic tweezer array with dominant van der Waals interaction. We characterize information spreading by an out-of-time-order correlator and observe persisten… ▽ More Quantum information scrambling, which describes the propagation and effective loss of localinformation, is crucial for understanding the dynamics of quantum many-body systems. We report the observation of anomalous information scrambling in an atomic tweezer array with dominant van der Waals interaction. We characterize information spreading by an out-of-time-order correlator and observe persistent oscillations inside a suppressed linear light cone for the initial Neel state. Such an anomalous dynamic, which differs from both generic thermal and many-body localized scenarios, originates from weak ergodicity breaking in quantum many-body scarred systems. △ Less

Submitted 31 July, 2025; v1 submitted 21 October, 2024; originally announced October 2024.

Comments: 7 pages, 4 figures

Journal ref: Physical Review Letters 135, 050201 (2025)

Hyperdisordered cell packing on a growing surface

Authors: Robert J. H. Ross, Giovanni D. Masucci, Chun Yen Lin, Teresa L. Iglesias, Sam Reiter, Simone Pigolotti

Abstract: While the physics of disordered packing in non-growing systems is well understood, unexplored phenomena can emerge when packing takes place in growing domains. We study the arrangements of pigment cells (chromatophores) on squid skin as a biological example of a packed system on an expanding surface. We find that relative density fluctuations in cell numbers grow with spatial scale. We term this b… ▽ More While the physics of disordered packing in non-growing systems is well understood, unexplored phenomena can emerge when packing takes place in growing domains. We study the arrangements of pigment cells (chromatophores) on squid skin as a biological example of a packed system on an expanding surface. We find that relative density fluctuations in cell numbers grow with spatial scale. We term this behavior ``hyperdisordered'', in contrast with hyperuniform behavior in which relative fluctuations tend to zero at large scale. We find that hyperdisordered scaling, akin to that of a critical system, is quantitatively reproduced by a model in which hard disks are randomly inserted in a homogeneously growing surface. In addition, we find that chromatophores increase in size during animal development, but maintain a stationary size distribution. The physical mechanisms described in our work may apply to a broad class of growing dense systems. △ Less

Submitted 26 May, 2025; v1 submitted 23 September, 2024; originally announced September 2024.

Comments: 13 pages, 7 figures, accepted version

Journal ref: Phys. Rev. X 15, 021064 (2025)

Scalable Reshaping of Diamond Particles via Programmable Nanosculpting

Authors: Tongtong Zhang, Fuqiang Sun, Yaorong Wang, Yingchi Li, Jing Wang, Zhongqiang Wang, Kwai Hei Li, Ye Zhu, Qi Wang, Lei Shao, Ngai Wong, Dangyuan Lei, Yuan Lin, Zhiqin Chu

Abstract: Diamond particles have many interesting properties and possible applications. However, producing diamond particles with well-defined shapes at scale is challenging because diamonds are chemically inert and extremely hard. Here, we show air oxidation, a routine method for purifying diamonds, can be used to precisely shape diamond particles at scale. By exploiting the distinct reactivities of differ… ▽ More Diamond particles have many interesting properties and possible applications. However, producing diamond particles with well-defined shapes at scale is challenging because diamonds are chemically inert and extremely hard. Here, we show air oxidation, a routine method for purifying diamonds, can be used to precisely shape diamond particles at scale. By exploiting the distinct reactivities of different crystal facets and defects inside the diamond, layer-by-layer outward-to-inward and inward-to-outward oxidation produced diverse diamond shapes including sphere, twisted surface, pyramidal islands, inverted pyramids, nano-flowers, and hollow polygons. The nanosculpted diamonds had more and finer features that enabled them to outperform the original raw diamonds in various applications. Using experimental observations and Monte Carlo simulations, we built a shape library that guides the design and fabrication of diamond particles with well-defined shapes and functional value. Our study presents a simple, economical and scalable way to produce shape-customized diamonds for various photonics, catalysis, quantum and information technology applications. △ Less

Submitted 14 September, 2024; originally announced September 2024.

Inter-Layer Correlation of Loop Current Charge Density Wave on the Bilayer Kagomé Lattice

Authors: Jin-Wei Dong, Yu-Han Lin, Ruiqing Fu, Gang Su, Ziqiang Wang, Sen Zhou

Abstract: Loop current order has been suggested as a promising candidate for the spontaneous time-reversal symmetry breaking $2a_0 \times 2a_0$ charge density wave (CDW) revealed in vanadium-based kagomé metals \avs\ ($A$ = K, Rb, Cs) near van Hove filling $n_\text{vH} = 5/12$. Weak-coupling analyses and mean field calculations have demonstrated that nearest-neighbor Coulomb repulsion $V_1$ and next-nearest… ▽ More Loop current order has been suggested as a promising candidate for the spontaneous time-reversal symmetry breaking $2a_0 \times 2a_0$ charge density wave (CDW) revealed in vanadium-based kagomé metals \avs\ ($A$ = K, Rb, Cs) near van Hove filling $n_\text{vH} = 5/12$. Weak-coupling analyses and mean field calculations have demonstrated that nearest-neighbor Coulomb repulsion $V_1$ and next-nearest-neighbor Coulomb repulsion $V_2$ drives, respectively, real and imaginary bond-ordered CDW, with the latter corresponding to time-reversal symmetry breaking loop current CDW. It is important to understand the inter-layer correlation of these bond-ordered CDWs and its consequences in the bulk kagomé materials. To provide physical insights, we investigate in this paper the $c$-axis stacking of them, loop current CDW in particular, on the minimal bilayer kagomé lattice. The bare susceptibilities for stacking of real and imaginary bond orders are calculated for the free electrons on the bilayer kagomé lattice with inter-layer coupling $t_\perp=0.2t$, which splits the van Hove filling to $n_{+\text{vH}}=4.64/12$ and $n_{-\text{vH}}=5.44/12$. While real and imaginary bond-ordered CDWs are still favored, respectively, by $V_1$ and $V_2$, their inter-layer coupling is sensitive to band filling $n$. They tend to stack symmetrically near $n_{\pm\text{vH}}$ with identical bond orders in the two layers and give rise to a $2a_0 \times 2a_0 \times 1c_0$ CDW. On the other hand, they prefer to stack antisymmetrically around $n_\text{vH}$ with opposite bond orders in the two layers and lead to a $2a_0 \times 2a_0 \times 2c_0$ CDW. The concrete bilayer $t$-$t_\perp$-$V_1$-V$_2$ model is then studied. We obtain the mean-field ground states and determine the inter-layer coupling as a function of band filling at various interactions. The nontrivial topological properties of loop current CDWs are studied ... △ Less

Submitted 11 May, 2025; v1 submitted 12 September, 2024; originally announced September 2024.

Comments: 12 pages, 8 figures, 2 tables

Journal ref: Phys. Rev. B 111, 045155 (2025)

Absence of itinerant ferromagnetism in a cobalt-based oxypnictide

Authors: Hua-Xun Li, Hao Jiang, Yi-Qiang Lin, Jia-Xin Li, Shi-Jie Song, Qin-Qing Zhu, Zhi Ren, Guang-Han Cao

Abstract: We report a layered transition-metal-ordered oxypnictide Sr$_{2}$CrCoAsO$_{3}$. The new material was synthesized by solid-state reactions under vacuum. It has an intergrowth structure with a perovskite-like Sr$_3$Cr$_2$O$_6$ unit and ThCr$_2$Si$_2$-type SrCo$_2$As$_2$ block stacking coherently along the crystallographic $c$ axis. The measurements of electrical resistivity, magnetic susceptibility,… ▽ More We report a layered transition-metal-ordered oxypnictide Sr$_{2}$CrCoAsO$_{3}$. The new material was synthesized by solid-state reactions under vacuum. It has an intergrowth structure with a perovskite-like Sr$_3$Cr$_2$O$_6$ unit and ThCr$_2$Si$_2$-type SrCo$_2$As$_2$ block stacking coherently along the crystallographic $c$ axis. The measurements of electrical resistivity, magnetic susceptibility, and specific heat indicate metallic conductivity from the CoAs layers and short-range antiferromagnetic ordering in the CrO$_{2}$ planes. No itinerant-electron ferromagnetism expected in CoAs layers is observed. This result, combined with the first-principles calculations and the previous reports of other CoAs-layer-based materials, suggests that the Co$-$Co bondlength plays a crucial role in the emergence of itinerant ferromagnetism. △ Less

Submitted 10 September, 2024; originally announced September 2024.

Comments: 9 pages, 7 figures

Journal ref: Phys. Rev. Mater. 8, 094405 (2024)

Interplay of Charge Density Wave and Magnetism on the Kagomé Lattice

Authors: Yu-Han Lin, Jin-Wei Dong, Ruiqing Fu, Xian-Xin Wu, Ziqiang Wang, Sen Zhou

Abstract: Motivated by the recent discovery of charge density wave (CDW) order in the magnetic kagomé metal FeGe, we study the single-orbital $t$-$U$-$V_1$-$V_2$ model on the kagomé lattice, where $U$, $V_1$, and $V_2$ are the onsite, nearest neighbor, and next-nearest-neighbor Coulomb repulsions, respectively. When the Fermi level lies in the flat band, the instability toward ferromagnetic (FM) order gives… ▽ More Motivated by the recent discovery of charge density wave (CDW) order in the magnetic kagomé metal FeGe, we study the single-orbital $t$-$U$-$V_1$-$V_2$ model on the kagomé lattice, where $U$, $V_1$, and $V_2$ are the onsite, nearest neighbor, and next-nearest-neighbor Coulomb repulsions, respectively. When the Fermi level lies in the flat band, the instability toward ferromagnetic (FM) order gives rise to a FM half-metal at sufficiently large onsite $U$. Intriguingly, at band filling $n=17/24$, the Fermi level crosses the van Hove singularity of the spin-minority bands of the half-metal. We show that, due to the unique geometry and sublattice interference on the kagomé lattice at van Hove singularity, the intersite Coulomb interactions $V_1$ and $V_2$ drive a real and an imaginary bond-ordered $2a_0 \times 2a_0$ CDW instability, respectively. The FM loop current CDW with complex bond orders is a spin-polarized Chern insulator exhibiting the quantum anomalous Hall effect. The bond fluctuations are found to be substantially enhanced compared to the corresponding nonmagnetic kagomé metals at van Hove filling, providing a concrete model realization of the bond-ordered CDWs, including the FM loop current CDW, over the onsite charge density ordered states. When the spins are partially polarized, we find that the formation of bond-ordered CDWs enhances substantially the ordered magnetic moments. These findings provide physical insights for the emergence of loop-current and bond-ordered CDW and their interplay with magnetism on the kagomé lattice, with possible connections to the magnetic kagomé metal FeGe. △ Less

Submitted 17 July, 2025; v1 submitted 4 September, 2024; originally announced September 2024.

Journal ref: Chinese Phys. Lett. 42, 080709 (2025)

Ultrafast creation of a light induced semimetallic state in strongly excited 1T-TiSe$_2$

Authors: Maximilian Huber, Yi Lin, Giovanni Marini, Luca Moreschini, Chris Jozwiak, Aaron Bostwick, Matteo Calandra, Alessandra Lanzara

Abstract: Screening, a ubiquitous phenomenon associated with the shielding of electric fields by surrounding charges, has been widely adopted as a means to modify a material's properties. While so far most studies have relied on static changes of screening through doping or gating, here we demonstrate that screening can also drive the onset of distinct quantum states on the ultrafast timescale. By using tim… ▽ More Screening, a ubiquitous phenomenon associated with the shielding of electric fields by surrounding charges, has been widely adopted as a means to modify a material's properties. While so far most studies have relied on static changes of screening through doping or gating, here we demonstrate that screening can also drive the onset of distinct quantum states on the ultrafast timescale. By using time and angle-resolved photoemission spectroscopy we show that intense optical excitation can drive 1T-TiSe$_2$, a prototypical charge density wave material, almost instantly from a gapped into a semimetallic state. By systematically comparing changes in bandstructure over time and excitation strength with theoretical calculations we find that the appearance of this state is likely caused by a dramatic reduction of the screening length. In summary, this work showcases how optical excitation enables the screening driven design of a non-equilibrium semimetallic phase in TiSe$_2$, possibly providing a general pathway into highly screened phases in other strongly correlated materials. △ Less

Submitted 16 August, 2024; originally announced August 2024.

Journal ref: Science Advances 10 (2024)

Lattice-guided growth of dense arrays of aligned transition metal dichalcogenide nanoribbons with high catalytic reactivity

Authors: Zongpeng Ma, Pablo Solís-Fernández, Kaito Hirata, Yung-Chang Lin, Keisuke Shinokita, Mina Maruyama, Kota Honda, Tatsuki Kato, Aika Uchida, Hiroto Ogura, Tomohiro Otsuka, Masahiro Hara, Kazunari Matsuda, Kazu Suenaga, Susumu Okada, Toshiaki Kato, Yasufumi Takahashi, Hiroki Ago

Abstract: Transition metal dichalcogenides (TMDs) exhibit unique properties and potential applications when reduced to one-dimensional (1D) nanoribbons (NRs), owing to quantum confinement and high edge densities. However, effective growth methods for self-aligned TMD NRs are still lacking. We demonstrate a versatile approach for lattice-guided growth of dense, aligned MoS2 NR arrays via chemical vapor depos… ▽ More Transition metal dichalcogenides (TMDs) exhibit unique properties and potential applications when reduced to one-dimensional (1D) nanoribbons (NRs), owing to quantum confinement and high edge densities. However, effective growth methods for self-aligned TMD NRs are still lacking. We demonstrate a versatile approach for lattice-guided growth of dense, aligned MoS2 NR arrays via chemical vapor deposition (CVD) on anisotropic sapphire substrates, without tailored surface steps. This method enables the synthesis of NRs with widths below 10 nm and longitudinal axis parallel to the zigzag direction, being also extensible to the growth of WS2 NRs and MoS2-WS2 hetero-nanoribbons. Growth is influenced by both substrate and CVD temperature, indicating the role of anisotropic precursor diffusion and substrate interaction. The 1D nature of the NRs was asserted by the observation of Coulomb blockade at low temperature. Pronounced catalytic activity was observed at the edges of the NRs, indicating their promise for efficient catalysis. △ Less

Submitted 9 January, 2025; v1 submitted 12 July, 2024; originally announced July 2024.

Comments: 41 pages, 27 figures

Journal ref: Sci. Adv. 11 (2025) eadr8046