arXiv subjects

Fawei Zheng

Publications and source records attributed to Fawei Zheng.

At least 19 recordsLinked to original sources

arXiv2026

A Mean-Field Approach to the Dielectric Response of Bulk Superconductors for Light Dark Matter Direct Detection

The dielectric function is central to describing many-body screening effects in dark matter (DM) direct detection with condensed matter targets. Current superconducting detector analyses employ the free-electron Lindhard dielectric function to model in-medium effects, an approximation whose validity in the superconducting state remains untested. We derive the electronic dielectric function for bulk superconductors within the Bardeen-Cooper-Schrieffer (BCS) framework, incorporating the full Bogoliubov quasiparticle coherence factors in the random-phase approximation. A systematic comparison with the Lindhard function for aluminum and tungsten silicide (WSi) reveals good agreement for energy depositions $\omega\gtrsim5\Delta$, establishing the Lindhard function as a robust approximation for superconducting DM detectors operating in this regime.

hep-ph↗

arXiv2026

Field-amplified readouts of weak altermagnetic exchange in MnF$_2$

MnF$_2$, the textbook two-sublattice antiferromagnet, has reemerged as a prototypical altermagnet, yet the sublattice-odd exchange that defines this identity remains under active debate: it enters the magnon splitting only in quadrature with the dipole--dipole interaction, its magnitude suppressed and its sign erased. An overdetermined first-principles total-energy mapping resolves this scale as a seventh-neighbor imbalance $\delta{J_7}\simeq+8~\mu$eV. The resulting Hamiltonian, with the dipole--dipole interaction included explicitly, reproduces the low-energy gap and the visible finite-momentum splitting. A longitudinal field $B\parallel c$ then acts as a linear amplifier of the hidden scale, opening two signed, field-linear readouts. The first is the compensation field $B^\ast(\mathbf Q)$, the position of minimum splitting, which is equal and opposite at the rotation-related partner momenta: a shift from zero field is itself evidence of a finite imbalance, its side gives the sign, and its magnitude, $|B^\ast|\simeq0.34$~T here, gives the scale. The second is the fixed-field contrast of the partner splittings, $\simeq0.14$~meV at $1$~T, six times the zero-field excess: a sign check from just two spectra. Both readouts survive a $0.12$~meV energy resolution, and the construction carries over to any easy-axis collinear altermagnet, bringing $\mu$eV altermagnetic exchange within present instrumental reach.

cond-mat.str-el↗

arXiv2026

Two-Dimensional Spin-Antiferroelectric Altermagnets with Giant Spin Splitting: From Model to Material Realization

The realization of multiferroic altermagnets featuring giant intrinsic spin splitting, hold great promise for next-generation spintronics. In this work, based on the recently proposed concept of spin-antiferroelectric (spin-AFE), we construct a class of two-dimensional (2D) multiferroic altermagnets, termed 2D spin-antiferroelectric altermagnets (2D spin-AFEAMs), enabling electrical control of spin polarization via a gate field. Furthermore, we propose a general design strategy for constructing 2D spin-AFEAMs with large intrinsic spin splitting. Guided by this strategy, we predict monolayer $(\mathrm{CoCl})_2\mathrm{Te}$ and its family materials as potential candidates of 2D spin-AFEAM. We uncover a highly tunable transport regime in monolayer $(\mathrm{CoCl})_2\mathrm{Te}$, where the spin current can be switched via the in-plane electric field angle when hole-doped, and via the gate field polarity when electron-doped. Our work enriches the family of 2D multiferroics and provides a blueprint for realizing high-performance, electrically switchable altermagnetic spintronic devices.

cond-mat.mtrl-sci↗

arXiv2025

Correlation Matrix Method for Phonon Quasiparticles

Phonon anharmonicity is ubiquitous in real materials and is crucial for understanding thermal properties and phase stability. In this work, we show that anharmonic phonon modes can be obtained by maximizing their vibration stability during fitting the atomic trajectory. We prove that all information about these quasiparticles is contained in two small correlation matrices $\mathcal{S}$ and $\mathcal{Q}$, which can be constructed directly from molecular dynamics simulations. Based on these matrices, we proposed an optimization scheme, which allows us to efficiently determine temperature-dependent phonon modes along with their frequencies and lifetimes. We verified this method by applying it to silicon and cubic CaSiO$_3$, where it successfully captured their temperature-dependent phonon behaviors and the well-known phonon softening in cubic CaSiO$_3$. This theory provides a convenient tool for investigating phonon quasiparticles and can be extended to study other quasiparticles, such as electrons, holes, and magnons.

cond-mat.mtrl-sci↗

arXiv2025

Cutting rules for non-relativistic dark matter in solids based on Kohn-Sham orbitals

The Cutkosky cutting rules establish a direct connection between the imaginary parts of loop amplitudes and physical observables such as decay rates and cross sections, providing heuristic insights into the underlying processes. This work lays a robust theoretical foundation for the application of cutting rules in solid-state systems involving instantaneous dark matter (DM)-electron Yukawa interaction as well as the Coulomb potential. The cutting rules are formulated using the single-electron wavefunctions and corresponding energy eigenvalues obtained from the Kohn-Sham equations within density functional theory (DFT). This framework is not only of considerable theoretical interest but also holds significant practical relevance for studying DM phenomenology in condensed matter systems.

hep-ph↗

arXiv2025

Nonmagnetic ground state of marcasite FeTe$_{2}$: The competition between crystal field splitting and on-site Coulomb repulsion

The magnetic ground states in crystalline systems are significant for both fundamental condensed matter physics and practical materials engineering. Marcasite FeTe$_{2}$, characterized as a small-gap semiconductor, exhibits anomalous magnetic behaviors in low-temperature experiments. In this study, first-principles density functional theory calculations combined with scanning tunneling microscopy/spectroscopy are employed to investigate the magnetic ground state of marcasite FeTe$_{2}$. It is revealed that the competition between crystal field splitting and on-site Coulomb repulsion plays the key role in the formation of localized magnetic moments in FeTe$_{2}$. The ground state of FeTe$_{2}$ bulk is confirmed to be nonmagnetic, while the magnetic responses of FeTe$_{2}$ observed at low temperature are suggested to be related to the magnetic Fe atoms on the crystal surfaces. Our work proposes a straightforward competing mechanism for determining ground-state magnetism of various localized-moment crystalline systems.

cond-mat.str-el↗

arXiv2024

Magnetic ground state of monolayer CeI$_{2}$: occupation matrix control and DFT+U calculations

The magnetic ground state is crucial for the applications of the two-dimension magnets as it decides fundamental magnetic properties of the material, such as magnetic order, magnetic transition temperature, and low-energy excitation of the spin waves. However, the simulations for magnetism of local-electron systems are challenging due to the existence of metastable states. In this study, occupation matrix control (OMC) and density functional theory plus Hubbard $U$ calculations are applied to investigate the magnetic ground state of monolayer CeI$_{2}$. Following the predicted ferromagnetic (FM) order, the FM ground state and the FM metastable states are identified and found to have different values of the magnetic parameters. Based on the calculated magnetic parameters of the FM ground state, the Curie temperature is estimated to be $128$ K for monolayer CeI$_{2}$. When spin-orbit coupling (SOC) is considered, the FM ground state is further confirmed to contain both off-plane and in-plane components of magnetization. SOC is shown to be essential for reasonably describing not only magnetic anisotropy but also local electronic orbital state of monolayer CeI$_{2}$.

cond-mat.mtrl-sci↗

arXiv2024

TopoTB: A software package for calculating the electronic structure and topological properties of the tight-binding model

We present TopoTB, a software package written in the Mathematica language, designed to compute electronic structures, topological properties, and phase diagrams based on tight-binding models. TopoTB is user-friendly, with an interactive user interface that enables the tuning of model parameters for fitting the target energy bands in a WYSIWYG way. In addition, TopoTB also includes functionalities for processing results from Density Functional Theory calculations. The outputs of TopoTB are rich and readable, and they can be displayed in various styles. These features make TopoTB a useful tool for the theoretical study of materials.

cond-mat.mtrl-sci↗

arXiv2024

Monolayer Fe$_{3}$GaX$_{2}$ (X=I, Br, Sb): high-temperature two-dimensional magnets and a novel partially ordered spin state

We systematically investigated the effects of charge doping and strain on monolayer Fe$_3$GaTe$_2$, and proposed three new novel two-dimensional magnetic materials: monolayer Fe$_3$GaX$_2$ (X=I, Br, Sb). We found that both strain and charge doping can tune the magnetic interactions, and the tuning by charge doping is more significant. Differential charge analysis revealed that the doped charges predominantly accumulate around Te atoms. Based on this insight, we introduced Fe$_{3}$GaI$_{2}$, Fe$_{3}$GaBr$_{2}$, and Fe$_{3}$GaSb$_{2}$ monolayers. The Fe$_{3}$GaI$_{2}$ and Fe$_{3}$GaBr$_{2}$ monolayers contain I and Br atoms rather than Te atoms, emulate electron-doped Fe$_{3}$GaTe$_{2}$ monolayer, resulting in notably high T$_c$ values of 867 K and 844 K, respectively. In contrast, the Fe$_3$GaSb$_2$ monolayer mimics hole-doped Fe$_{3}$GaTe$_{2}$ monolayer, presents a mix of FM and antiferromagnetic interactions, manifesting a distinctive partially ordered magnetic state. Our study demonstrates that substitution atoms based on the charge-doping effect offer a promising approach for predicting new magnetic materials. The proposed Fe$_{3}$GaI$_{2}$, Fe$_{3}$GaBr$_{2}$, and Fe$_{3}$GaSb$_{2}$ monolayers hold great potential for spintronics applications, and may stimulate the pursuit of new types of spin liquid.

cond-mat.mtrl-sci↗

arXiv2024

Lattice thermal conductivity of ZrSe2 based on the anharmonic phonon approach and on-the-fly machine learning force fields

The lattice thermal conductivity (LTC) of ZrSe$_2$, a typical layered transition metal disulfide, has been calculated using a hybrid approach that combines force field molecular dynamics (MD) simulation and Boltzmann transport equation (BTE). In this approach, the phonon quasiparticle picture of each normal mode can be obtained directly by the velocity autocorrelation function and its power spectrum projected in $q$-space. By employing the retarded one phonon Green's function method, the phonon quasiparticle frequency and lifetime of each independent normal mode are effectively determined. On-the-fly machine learning force fields combine the precision of quantum mechanics and the scale of classical MD to analyze sizable supercells with long-wavelength phonons. This yields accurate LTC by using sufficient $q$-samples in the Brillouin zone, which cannot be achieved at the \emph{ab initio} molecular dynamics scale. The convergent LTC tensor of bulk and monolayer ZrSe$_2$ decays faster with increasing temperature than the well-known $\frac{1}{T}$ scale, which is typically observed when considering only three-phonon scattering. The phonon lifetime and mean free path exhibit significant dependence on temperature. MD simulations encompass all orders of anharmonic effects, thereby enabling an accurate description of anharmonic interactions between phonons at finite temperatures. Moreover, this approach respects the contribution of each normal mode to the LTC based on the BTE, which facilitates the quantitative analysis of phonon anharmonic properties and the role of specific normal modes.

cond-mat.mtrl-sci↗

arXiv2024

Spin-Lattice Coupling Induced Rich Magnetic States in CrF$_3$ monolayer

We systematically studied the spin-lattice couplings in the CrF$_3$ monolayer. Our study reveals that the spin exchange constants between the nearest neighbors are notably affected by these couplings. Specifically, the couplings arise predominantly from three distinct phonon modes, namely the covariant, rotation, and stretch of the Cr-F-Cr-F rhombus. By integrating out the phonon degrees of freedom, we derived an effective spin Hamiltonian featuring four-spin product terms, which yields a remarkably intricate magnetic phase diagram. Significantly, numerous plateau states characterized by fractional magnetizations, including 1/2, 1/3, 2/3, 1/4, 1/5, 5/8, 1/9, and 2/9, emerge in the vicinity of the phase transition boundary separating ferromagnetic and antiferromagnetic states. These findings show the profound influence of spin-lattice couplings on magnetic properties near the magnetic phase boundaries, and the predicted plateau states are expected to be observable in future experiments.

cond-mat.mtrl-sci↗

arXiv2024

Scaling Laws Governing the Elastic Properties of 3D-Graphenes

In this study, we have comprehensively investigated the scaling law for elastic properties of three-dimensional honeycomb-like graphenes (3D-graphenes) using hybrid neural network potential based molecular dynamics simulations and theoretical analyses. The elastic constants as functions of honeycomb hole size, denoted by the graphene wall length $L$, were provided. All five independent elastic constants in the large $L$ limit are proportional to $L^{-1}$. The associated coefficients are combinations of two-dimensional graphene's elastic constants. High-order terms including $L^{-2}$ and $L^{-3}$ emerge for finite $L$ values. They have three origins, the distorted areas close to the joint lines of 3D-graphenes, the variation of solid angles between graphene plates, and the bending distortion of graphene plates. Significantly, the chirality becomes essential with the decreasing of $L$, because the joint line structures are different between the armchair and zigzag type 3D-graphenes. Our findings provide insights into the elastic properties of graphene-based superstructures and can be used for further studies on graphene-based materials.

cond-mat.mtrl-sci↗

arXiv2024

Interlayer magnetic interactions and ferroelectricity in $\pi$/3-twisted CrX$_2$ (X = Se, Te) bilayers

Recently, two-dimensional (2D) bilayer magnetic systems have been widely studied. Their interlayer magnetic interactions play a vital role in the magnetic properties. In this paper, we theoretically studied the interlayer magnetic interactions, magnetic states and ferroelectricity of $\pi$/3-twisted CrX$_2$ (X = Se, Te) bilayers ($\pi$/3-CrX$_2$). Our study reveals that the lateral shift could switch the magnetic state of the $\pi$/3-CrSe$_2$ between interlayer ferromagnetic and antiferromagnetic, while just tuning the strength of the interlayer antiferromagnetic interactions in $\pi$/3-CrTe$_2$. Furthermore, the lateral shift can alter the off-plane electric polarization in both $\pi$/3-CrSe$_2$ and $\pi$/3-CrTe$_2$. These results show that stacking is an effective way to tune both the magnetic and ferroelectric properties of 1T-CrX$_2$ bilayers, making the 1T-CrX$_2$ bilayers hold promise for 2D spintronic devices.

cond-mat.mtrl-sci↗

arXiv2022

Phonon-mediated Migdal effect in semiconductor detectors

The Migdal effect inside detectors provides a new possibility of probing the sub-GeV dark matter (DM) particles. While there has been well-established methods treating the Migdal effect in isolated atoms, a coherent and complete description of the valence electrons in semiconductor is still absent. The bremstrahlung-like approach is a promising attempt, but it turns invalid for DM masses below a few tens of MeV. In this paper, we lay out a framework where phonon is chosen as an effective degree of freedom to describe the Migdal effect in semiconductors. In this picture, a valence electron is excited to the conduction state via exchange of a virtual phonon, accompanied by a multi-phonon process triggered by an incident DM particle. Under the incoherent approximation, it turns out that this approach can effectively push the sensitivities of the semiconductor targets further down to the MeV DM mass region.

hep-ph↗

arXiv2022

Magnetic skyrmion lattices in a novel two-dimensional twisted bilayer magnet

Magnetic skyrmions are topologically protected spin swirling vertices, which are promising in device applications due to their particle-like nature and excellent controlability. Magnetic skyrmions have been extensively studied in a variety of materials and were proposed to exist in the extreme two-dimensional limit, i.e., in twisted bilayer CrI$_3$ (TBCI). Unfortunately, the magnetic states of TBCIs with small twist angles are disorderly distributed ferromagnetic (FM) and antiferromagnetic (AFM) domains in recent experiments, and thus the method to get rid of disorders in TBCIs is highly desirable. Here we use intralayer exchange interactions up to the third nearest neighbors without empirical parameters and very accurate interlayer exchange interactions to study the magnetic states of TBCIs. We propose the functions of interlayer exchange interactions obtained using first-principles calculations and stored in symmetry-adapted artificial neural networks. Based on them, the subsequent Landau-Lifshitz-Gillbert equation calculations explain the disorderly distributed FM-AFM domains in TBCIs with small twist angles and predict the orderly distributed skyrmions in TBCIs with large twist angles. This novel twisted two-dimensional bilayer magnet can be used to design memory devices, monochromatic spin wave generators and many kinds of skyrmion lattices.

cond-mat.mtrl-sci↗

arXiv2022

Selective Trapping of Hexagonally Warped Topological Surface States in a Triangular Quantum Corral

The surface of a three-dimensional topological insulator (TI) hosts two-dimensional massless Dirac fermions (DFs), the gapless and spin-helical nature of which yields many exotic phenomena, such as the immunity of topological surface states (TSS) to back-scattering. This leads to their high transmission through surface defects or potential barriers. Quantum corrals, previously elaborated on metal surfaces, can act as nanometer-sized electronic resonators to trap Schrödinger electrons by quantum confinement. It is thus intriguing, concerning their peculiar nature, to put the Dirac electrons of TSS to the test in similar circumstances. Here, we report the behaviors of TSS in a triangular quantum corral (TQC) fabricated by epitaxially growing Bi bilayer nanostructures on the surfaces of Bi2Te3 films. Unlike a circular corral, the TQC is supposed to be totally transparent for DFs. By mapping the electronic structure of TSS inside TQCs through a low-temperature scanning tunneling microscope in the real space, both the trapping and de-trapping behaviors of the TSS electrons are observed. The selection rules are found to be governed by the geometry and spin texture of the constant energy contour of TSS upon the strong hexagonal warping in Bi2Te3. Careful analysis of the quantum interference patterns of quasi-bound states yields the corresponding wave vectors of trapped TSS, through which two trapping mechanisms favoring momenta in different directions are uncovered. Our work indicates the extended nature of TSS and elucidates the selection rules of the trapping of TSS in the presence of a complicated surface state structure, giving insights into the effective engineering of DFs in TIs.

cond-mat.mes-hall↗

arXiv2022

Semiconductor-metal phase transition and emergent charge density waves in 1T-ZrX$_2$ (X = Se, Te) at the two-dimensional limit

Charge density wave (CDW) is a collective quantum phenomenon in metals and features a wave-like modulation of the conduction electron density. A microscopic understanding and experimental control of this many-body electronic state in atomically thin materials remain hot topics in materials physics. By means of material engineering, we realized a dimensionality and Zr intercalation induced semiconductor-metal phase transition in 1T-ZrX$_2$ (X = Se, Te) ultra-thin films, accompanied by a commensurate 2 $\times$ 2 CDW order. Furthermore, we observed a CDW energy gap up to 22 meV around the Fermi level. Fourier-transformed scanning tunneling microscopy and angle-resolved photoemission spectroscopy reveal that 1T-ZrX$_2$ films exhibit the simplest Fermi surface among the known CDW materials in TMDCs, consisting only of Zr 4d-derived elliptical electron conduction band at the corners of the Brillouin zone.

cond-mat.mtrl-sci↗

arXiv2022

Interlayer magnetic interactions in $π/3$-twisted bilayer CrI$_3$

The interlayer magnetic interaction in bilayer CrI$_3$ plays a crucial role for its device applications. In this work, we studied the interlayer magnetic interaction in $π/3$-twisted bilayer CrI$_3$ using first-principles calculations. Our calculations show that the interlayer coupling can be ferromagnetic or antiferromagnetic depending crucially on lateral shift. The strongest antiferromagnetic interlayer interaction appears in the $\bar{A}A$-stacking. The magnetic force theory calculations demonstrate that such an antiferromagnetic interaction is dominanted by the $e_g$-$e_g$ channel. Particularly, the interlayer antiferromagnetic interaction is very sensitive to external pressure. This highly tunable interlayer interaction makes $π/3$-twisted bilayer CrI$_3$ a potential building block for magnetic field effect transistors and pressure sensors.

cond-mat.mtrl-sci↗