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Xiangru Kong

Publications and source records attributed to Xiangru Kong.

At least 19 recordsLinked to original sources

A substrate booster for P-type 2D ferromagnetic semiconductor

Spin transistors with its both charge and spin properties tuned via electrostatic gating are believed capable for widespread use, which however have proven challenging due to the extreme rareness of their physical base -- magnetic semiconductors. The latter are limited within very few systems including diluted magnetic semiconductors (DMS) and two-dimensional ferromagnetic semiconductors (2D-FMS), and known to suffer from inadequate gate-tunability of their electric and/or magnetic properties. Here, we show a substrate engineering paradigm by interfacing few-layered Cr$_{2}$Ge$_{2}$Te$_{6}$ (FL-CGT) with an antiferromagnetic insulator CrOCl. Owing to the subtle interfacial charge transfer couplings, CGT can be drastically turned from an ambipolar semiconductor into a high performance P-type semiconductor. When cooled below the Curie temperature, the ON-OFF ratio in such substrate-boosted FMS field-effect transistor (FET) reaches 10$^{5}$ with its coercive field $H_{c}$ of magnetic hysteresis loop tunable by a factor of more than 200$\%$, enabling {gate-assisted magnetic switching in the prototype semiconducting spin transistor architecture}. A crossover from critical power-law scaling to a dual power-law behaviour under heavy hole doping was further observed. Our findings {signify} an efficient interfacial charge transfer and electrically modulated magnetic anisotropy energy supported by calculations. This high performance P-type FMS-FET system suggests that active substrate-boosting paradigm might be a powerful path for the investigation of future gate-tunable spintronic devices.

cond-mat.mes-hall

Group theory of Raman effect in magnetic materials

Despite the wealth of experimental observations on Raman scattering in magnetic materials, the underlying selection rules have remained largely unexplored. In this work, we use Onsager reciprocity relation, other than the conventional corepresentation method, to deal with the mathematical structures of Raman tensors in magnetic groups. Using this approach, we generate Raman tensor tables for all magnetic point groups, and present a comprehensive understanding of the Raman selection rules in magnetic materials with direct product representations method. Our theoretical and numerical results match previous experiments well, and resolve a recent puzzle in the Raman spectroscopy of CrSBr. Moreover, we identify a common but overlooked phenomenon: the magneto-Raman vector can be orthogonal to the magnetic moment direction. Our method and associated Raman tensor tables will be helpful for the Raman studies in both experimental and theoretical domains.

cond-mat.mtrl-sci

Symmetry enforced quantum spin Hall effect in Altermagnets

The quantum spin Hall effect (QSHE) has attracted widespread attention due to its dissipationless transport, which is protected by non-trivial topological invariants and helical edge states. Because even weak magnetic disorder can destroy the stability of topological quantum states, current research on the QSHE has primarily focused on non-magnetic materials. In this work, we extend the research scope of the QSHE to altermagnets. We establish the relevant symmetry constraints and identify all magnetic point groups that can realize the altermagnetic QSHE. Symmetry analysis reveals that pronounced spin-valley locking or spin-valley-layer locking universally exists in these systems. The concerted interaction between band inversion and spin-valley locking collectively gives rise to the helical edge states. Using first-principles calculations and theoretical models, we demonstrate that monolayer Nb2SeTeO exhibits an altermagnetic QSHE characterized by spin-valley locking, while bilayer Hf3Se3Te2 manifests an altermagnetic QSHE featuring spin-valley-layer locking. This work clarifies the intrinsic symmetry correlation between altermagnetism and quantum spin Hall topological phases, providing a brand-new theoretical perspective and research platform for exploring magnetic topological systems and developing next-generation spintronic devices

cond-mat.mes-hall

Symmetry-Breaking Induced Spin Transport and Magneto-Optical Regulation in 2D Altermagnet Ru2MoSe4

Two-dimensional (2D) altermagnets (AMs) offer a compelling paradigm for advanced spintronics, yet their fully compensated macroscopic spin currents inherently limit practical device integration. In this work, using first-principles calculations and theoretical analysis, we demonstrate that the 2D material Ru2MoSe4 hosts AM ground state protected by S4zT symmetry. Using uniaxial strain modulation and stacking configuration, we show that the monolayer and the AC-stacking bilayer Ru2MoSe4 host fully spin-polarized currents, piezomagnetically induced net magnetization, and the magneto-optical Kerr effect. Our findings establish Ru2MoSe4 as a tunable platform, offering a feasible mechanism to simultaneously trigger electrical spin transport signals and amplify optical readout signatures for next-generation spintronics and valleytronics.

cond-mat.mtrl-sci

Optically Driven Orbital Hall Transport in Floquet Odd-Parity Collinear Altermagnets with High Chern Numbers

Recent studies have attracted increasing interest in nonrelativistic odd-parity magnetism and its associated topology in collinear altermagnets. Here, based on symmetry analysis and an effective model, we demonstrate that Floquet engineering can induce $f$-wave odd-parity altermagnetism in two-dimensional collinear antiferromagnetic multilayers via the coupling between circularly polarized light (CPL) and layer degrees of freedom. Furthermore, modifying the CPL induces nonequilibrium quantum anomalous Hall effect (QAHE) with tunable Chern numbers up to $C=\pm8$, arising from layer- and valley-dependent band inversions. The induced topological phase transitions provide an efficient means to manipulate the orbital Hall effect (OHE) by redistributing orbital angular momentum. First-principles calculations reveal that experimentally accessible VSi$_2$N$_4$ serves as a viable platform for topological phase diagram of the QAHE and OHE, featuring pronounced trigonal warping. Our findings establish a versatile route toward optically controllable topological phenomena, opening new opportunities for future developments in topological spintronics and orbitronics.

cond-mat.mes-hall

Interplay of Kekulé bond order and lattice instability in $\mathrm{C}_6\mathrm{Li}$

Understanding the interplay between charge order and lattice instability in quantum materials remains a central challenge, as their coexistence often obscures causal relationships. This work introduces $\mathrm{C}_6\mathrm{Li}$ as a novel platform to investigate charge order mediated by two distinct mechanisms. We show that the hybridization between carbon $π$ and lithium $s$ orbitals generates an effective long-range hopping within Li-centered hexagons. This hopping drives a Kekulé bond order, whose structure varies with charge density and the sign of the hopping. This bond order induces a Kekulé lattice distortion via electron-phonon coupling. In the limit where lithium atoms are distant from the graphene layer, a Fermi surface nesting-driven Kekulé bond order emerges, stabilized by the electron-phonon interaction. Our results establish $\mathrm{C}_6\mathrm{Li}$ as a tunable platform for elucidating the causal hierarchy between electronic and structural orders in quantum materials.

cond-mat.str-el

Unconventional hybrid-order topological insulators

Exploring novel topological matters with exotic quantum states has always been a core issue in the field of condensed matter physics, which can update the understanding of topological phases and broaden the classification of topological materials. Here, we report a class of unconventional hybrid-order topological insulators (HyOTIs), which simultaneously host various different higher-order topological states in a single band gap. Such topological states exhibit a unique bulk-boundary correspondence that is different from the well-known first-order topological states, higher-order topological states, and the coexistence of both. Particularly, we develop a generic surface theory to precisely capture them and discover a three-dimensional unconventional HyOTI protected by inversion symmetry, which renders both helical and corner topological states and exhibits an unprecedented bulk-edge-corner correspondence. By adjusting the parameters of the system, we also observe the nontrivial phase transitions between the inversion-symmetric HyOTI and other conventional phases. We further propose a circuit-based experimental scheme to detect these interesting results. Remarkably, we demonstrate that a modified tight-binding model of bismuth can support the unconventional HyOTI, suggesting a possible route for its material realization. This work shall significantly advance the research of hybrid topological states in both theory and experiment.

cond-mat.mes-hall

Strain-engineering spin-valley locking effect in altermagnetic monolayer with multipiezo properties

Recently, altermagnetism (AM) in condensed matter systems has attracted much attention due to the physical properties arising from the alternating spins in both real space and reciprocal space. In our work, we propose a stable monolayer Janus Nb2SeTeO with altermagnetic ground state and a new type of spin-valley locking (SVL) effect. The monolayer Janus Nb2SeTeO exhibits a mutipizeo effect with a large out-of-plane piezoelectricity and piezovalley effect with large valley polarization. The piezovalley effect is induced by the uniaxial strain effect in different directions, which contributes the anomalous valley Hall effect (AVHE) in the AM system. Moreover, the compressive uniaxial strain could induce the quantum anomalous Hall effect (QAHE) in the AM system, where the chirality of the dissipationless topological edge states could be manipulated by the direction of uniaxial strain. These manifest topological phase transitions could be realized via the piezovalley effect in the AM system. Furthermore, the AM quantum spin Hall effect (QSHE) could be induced by the biaxial strain effect, which contributes the quantized spin Hall conductance. Our work reveals that strain-engineering technique could provide as an important method to tune the dissipationless edge states in monolayer Janus Nb2SeTeO. By designing the SVL effect could emerge new physics in AM systems, such as AVHE, QAHE and QSHE.

cond-mat.mtrl-sci

Optical conductivity of overdoped cuprates from ab-initio out-of-plane impurity potentials

Dopant impurity potentials determined by ab-initio supercell DFT calculations are used to calculate the optical conductivity of overdoped LSCO and Tl-2201 in the superconducting and normal states. Vertex corrections are included, to account for the effect of forward scattering on two-particle properties. This approach was previously shown to provide good, semiquantitative agreement with measurements of superfluid density in LSCO. Here we compare calculations of conductivity with measurements of THz conductivity on LSCO using identical impurity, band, and correlation parameters, and find similarly good correspondence with experiment. In the process, we delineate the impact of the different disorder mechanisms on single-particle and transport relaxation processes. In particular, we reveal the critical role of apical oxygen vacancies in transport scattering and show that transport relaxation rates in LSCO are significantly reduced when apical oxygen vacancies are annealed out. These considerations are shown to be crucial for understanding the variability of experimental results on overdoped LSCO in samples of nominally identical doping but different types. Finally, we give predictions for Tl-2201 THz conductivity experiments.

cond-mat.supr-con

Effect of realistic out-of-plane dopant potentials on the superfluid density of overdoped cuprates

Recent experimental papers on hole-doped overdoped cuprates have argued that a series of observations showing unexpected behavior in the superconducting state imply the breakdown of the quasiparticle-based Landau-BCS paradigm in that doping range. In contrast, some of the present authors have argued that a phenomenological "dirty $d$-wave" theoretical analysis explains essentially all aspects of thermodynamic and transport properties in the superconducting state, provided the unusual effects of weak, out-of-plane dopant impurities are properly accounted for. Here we attempt to place this theory on a more quantitative basis by performing $\textit{ab-initio}$ calculations of dopant impurity potentials for LSCO and Tl-2201. These potentials are more complex than the pointlike impurity models considered previously, and require calculation of forward scattering corrections to transport properties. Including realistic, ARPES-derived bandstructures, Fermi liquid renormalizations, and vertex corrections, we show that the theory can explain semiquantitatively the unusual superfluid density measurements of the two most studied overdoped materials.

cond-mat.supr-con

Comment on "Anisotropic Scattering Caused by Apical Oxygen Vacancies in Thin Films of Overdoped High-Temperature Cuprate Superconductors"

In Phys. Rev. Lett. 128, 137001 (2022), Wang $\textit{et al}.$ address an important problem in the overdoped cuprates, taking the first steps toward understanding the structure of real defects in these materials, in this case the apical oxygen vacancy, $\mathrm{V}_\mathrm{O}$, that sits immediately above the planar Cu. However, the approach taken has some issues, which we outline in this Comment.

cond-mat.supr-con

Floquet band engineering and topological phase transitions in 1T' transition metal dichalcogenides

Using ab initio tight-binding approaches, we investigate Floquet band engineering of the 1T' phase of transition metal dichalcogenides (MX2, M = W, Mo and X = Te, Se, S) monolayers under the irradiation with circularly polarized light. Our first principles calculations demonstrate that light can induce important transitions in the topological phases of this emerging materials family. For example, upon irradiation, Te-based MX2 undergoes a phase transition from quantum spin Hall (QSH) semimetal to time-reversal symmetry broken QSH insulator with a nontrivial band gap of up to 92.5 meV. On the other hand, Se- and S-based MX2 undergoes the topological phase transition from the QSH effect to the quantum anomalous Hall (QAH) effect and into trivial phases with increasing light intensity. From a general perspective, our work brings further insight into non-equilibrium topological systems.

cond-mat.mtrl-sci

Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting property, and tunable topological states in two-dimensional rare-earth-metal dinitrides

As the bulk single-crystal MoN2/ReN2 with a layered structure was successfully synthesized in experiment, transition-metal dinitrides have attracted considerable attention in recent years. Here, we focus on rare-earth-metal (Rem) elements and propose seven stable Rem dinitride monolayers with a 1T structure, namely 1T-RemN2. These monolayers have a ferromagnetic ground state with in-plane magnetization. Without spin-orbit coupling (SOC) effect, the band structures are spin-polarized with Dirac points at the Fermi level. Remarkably, the 1T-LuN2 monolayer shows an isotropic magnetic anisotropy energy in the xy-plane with in-plane magnetization, indicating easy tunability of the magnetization direction. When rotating the magnetization vector in the xy-plane, our proposed model can accurately describe the variety of the SOC band gap and two topological states (Weyl-like semimetal and Chern insulator states) appear with tunable properties. The Weyl-like semimetal state is a critical point between the two Chern insulator states with opposite sign of the Chern numbers. The large nontrivial band gap (up to 60.3 meV) and the Weyl-like semimetal state are promising for applications in spintronic devices.

cond-mat.mtrl-sci

Phonon modes and Raman signatures of MnBi2nTe3n+1 (n=1,2,3,4) magnetic topological heterostructures

An intrinsic antiferromagnetic topological insulator $\mathrm{MnBi_2Te_4}$ can be realized by intercalating Mn-Te bilayer chain in a topological insulator, $\mathrm{Bi_2Te_3}$. $\mathrm{MnBi_2Te_4}$ provides not only a stable platform to demonstrate exotic physical phenomena, but also easy tunability of the physical properties. For example, inserting more $\mathrm{Bi_2Te_3}$ layers in between two adjacent $\mathrm{MnBi_2Te_4}$ weakens the interlayer magnetic interactions between the $\mathrm{MnBi_2Te_4}$ layers. Here we present the first observations on the inter- and intra-layer phonon modes of $\mathrm{MnBi_{2n}Te_{3n+1}}$ (n=1,2,3,4) using cryogenic low-frequency Raman spectroscopy. We experimentally and theoretically distinguish the Raman vibrational modes using various polarization configurations. The two peaks at 66 cm$^{-1}$ and 112 cm$^{-1}$ show an abnormal perturbation in the Raman linewidths below the magnetic transition temperature due to spin-phonon coupling. In $\mathrm{MnBi_4Te_7}$, the $\mathrm{Bi_2Te_3}$ layers induce Davydov splitting of the A$_{1g}$ mode around 137 cm$^{-1}$ at 5 K. Using the linear chain model, we estimate the out-of-plane interlayer force constant to be $(3.98 \pm 0.14) \times 10^{19}$ N/m$^3$ at 5 K, three times weaker than that of $\mathrm{Bi_2Te_3}$. Our work discovers the dynamics of phonon modes of the $\mathrm{MnBi_2Te_4}$ and the effect of the additional $\mathrm{Bi_2Te_3}$ layers, providing the first-principles guidance to tailor the physical properties of layered heterostructures.

cond-mat.mtrl-sci

Polytypism in Few-Layer Gallium Selenide

Gallium selenide (GaSe) is one of layered group-III metal monochalcogenides, which has an indirect bandgap in monolayer and direct bandgap in bulk unlike other conventional transition metal dichalcogenides (TMDs) such as MoX2 and WX2 (X=S and Se). Four polytypes of bulk GaSe, designated as beta-, epsilon-, gamma-, and delta-GaSe, have been reported. Since different polytypes result in different optical and electrical properties even for the same thickness, identifying the polytype is essential in utilizing this material for various optoelectronic applications. We performed polarized Raman measurement on GaSe and found different ultra-low-frequency Raman spectra of inter-layer vibrational modes even for the same thickness due to different stacking sequences of the polytypes. By comparing the ultra-low-frequency Raman spectra with theoretical calculations and high-resolution electron microscopy measurements, we established the correlation between the ultra-low-frequency Raman spectra and the stacking sequences for trilayer GaSe. We further found that the AB-type stacking is more stable than the AA'-type stacking in GaSe.

cond-mat.mtrl-sci

Interlayer magnetism in Fe3-xGeTe2

Fe$_{3-x}$GeTe$_2$ is a layered van der Waals magnetic material with a relatively high ordering temperature and large anisotropy. While most studies have concluded the interlayer ordering to be ferromagnetic, there have also been reports of interlayer antiferromagnetism in Fe$_{3-x}$GeTe$_2$. Here, we investigate the interlayer magnetic ordering by neutron diffraction experiments, scanning tunneling microscopy (STM) and spin-polarized STM measurements, density functional theory plus U calculations and STM simulations. We conclude that the layers of Fe$_{3-x}$GeTe$_2$ are coupled ferromagnetically and that in order to capture the magnetic and electronic properties of Fe$_{3-x}$GeTe$_2$ within density functional theory, Hubbard U corrections need to be taken into account.

cond-mat.mtrl-sci

The magnetic, electronic, and light-induced topological properties in two-dimensional hexagonal FeX2 (X = Cl, Br, I) monolayers

Topological materials are fertile ground for investigating topological phases of matter and topological phase transitions. In particular, the quest for novel topological phases in 2D materials is attracting fast growing attention. Here, using Floquet-Bloch theory, we propose to realize chiral topological phases in 2D hexagonal FeX2 (X=Cl, Br, I) monolayers under irradiation of circularly polarized light. Such 2D FeX2 monolayers are predicted to be dynamical stable, and exhibit both ferromagnetic and semiconducting properties. To capture the full topological physics of the magnetic semiconductor under periodic driving, we adopt ab initio Wannier-based tight-binding methods for the Floquet-Bloch bands, with the light-induced band gap closings and openings being obtained as the light field strength increases. The calculations of slab with open boundaries show the existence of chiral edge states. Interestingly, the topological transitions with branches of chiral edge states changing from zero to one and from one to two by tuning the light amplitude are obtained, showing that the topological floquet phase of high Chern number can be induced in the present Floquet-Bloch systems.

cond-mat.mes-hall

Quantum anomalous Hall effect in stable 1T-YN$_2$ monolayer with a large nontrivial band gap and high Chern number

The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in 1T-YN$_2$ monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial band gap of nearly $0.1$ eV in the electronic band structure. This results in the nontrivial bulk topology which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a high Chern number $C = 3$ is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications.

cond-mat.mtrl-sci