arXiv subjects

Huan-Cheng Yang

Publications and source records attributed to Huan-Cheng Yang.

18 recordsLinked to original sources

arXiv2026

Ultrafast optical route to coupled ferroelectric and altermagnetic switching

Exploring novel magnetoelectric coupling mechanisms to achieve control of ferroelectric polarization and magnetism is highly significant for both fundamental science and electronic device applications. Although extensive studies have been conducted on electrical switching of magnetism in multiferroic materials, simultaneous ultrafast laser switching of ferroelectric polarization and altermagnetism remains unexplored. In this letter, we propose that the ultrafast laser can be used to switch ferroelectric polarization and altermagnetism concurrently in charge-order-induced altermagnetic ferroelectrics. Building on this idea, we further demonstrate that such dual switching can be realized in charge-order-induced altermagnetic ferroelectric LiV$_2$F$_6$ by symmetry analysis and time-dependent density functional theory (TDDFT) calculation. Given that LiV$_2$F$_6$ has already been experimentally synthesized, our work not only provides an ideal material platform for experimentally realizing simultaneous switching of ferroelectric polarization and altermagnetism but also holds potential application value in future ultrafast spintronic devices.

cond-mat.mtrl-sci↗

arXiv2025

Ultrafast magnetic moment transfer and bandgap renormalization in monolayer FeCl$_2$

The microscopic origin of laser-induced ultrafast demagnetization remains an open question, to which the non-thermal electronic distribution plays a vital role at the initial stage. Herein, we investigate the connection between the non-thermal electronic distribution and the ultrafast spin dynamics as well as the electronic structure evolution in ferromagnetic FeCl$_2$ monolayer using real-time time-dependent density functional theory (rt-TDDFT) with self-consistent Hubbard $U$ correction. Our simulations reveal that femtosecond laser pulses induce ultrafast magnetic moment transfer from Fe to Cl atoms. More importantly, through a comprehensive analysis of orbital-resolved electronic structure, we elucidate the microscopic origin of this transfer, attributing it to specific intra-atomic and inter-atomic charge transfer pathways driven by non-thermal excitations. The extent of demagnetization of Fe atoms exhibits a non-monotonic dependence on the laser photon energy, reaching a maximum at the resonant excitation. In addition, the dynamical evolution of the band structure was studied based on the eigenstates of the instantaneous Hamiltonian. Under resonant excitation, the bandgap reduction reaches up to $41\%$ within tens of fs. These findings provide fundamental insights into ultrafast spin control and suggest a strategy to optically engineer the magnetism in two-dimensional magnetic materials.

cond-mat.mtrl-sci↗

arXiv2025

Unconventional compensated magnetic material LaMn$_2$SbO$_6$

Unconventional magnetism including altermagnetism and unconventional compensated magnetism, characterized by its duality of real-space antiferromagnetic alignment and momentum-space spin splitting, has garnered widespread attention. While altermagnetism has been extensively studied, research on unconventional compensated magnetism remains very rare. In particular, unconventional compensated magnetic materials are only theoretically predicted and have not yet been synthesized experimentally. In this study, based on symmetry analysis and the first-principles electronic structure calculations, we predict that LaMn$_2$SbO$_6$ is a unconventional compensated magnetic semiconductor. Given that the Mn ions at opposite spin lattice cannot be connected by any symmetry, the spin splitting in LaMn$_2$SbO$_6$ is isotropic. More importantly, LaMn$_2$SbO$_6$ has already been synthesized experimentally, and its magnetic structure has been confirmed by neutron scattering experiments. Therefore, LaMn$_2$SbO$_6$ serves as an excellent material platform for investigating the novel physical properties of unconventional compensated magnetic materials.

cond-mat.mtrl-sci↗

arXiv2025

Luttinger compensated bipolarized magnetic semiconductor

Altermagnetic materials, with real-space antiferromagnetic arrangement and reciprocal-space anisotropic spin splitting, have attracted much attention. However, the spin splitting is small in most altermagnetic materials, which is a disadvantage to their application in electronic devices. In this study, based on symmetry analysis and the first-principles electronic structure calculations, we predict for the first time two Luttinger compensated bipolarized magnetic semiconductors Mn(CN)2 and Co(CN)2 with isotropic spin splitting as in the ferromagnetic materials. Our further analysis shows that the Luttinger compensated magnetism here depends not only on spin group symmetry, but also on the crystal field splitting and the number of d-orbital electrons. In addition, the polarized charge density indicates that both Mn(CN)2 and Co(CN)2 have the quasi-symmetry T{\tau} , resulting from the crystal field splitting and the number of d-orbital electrons. The Luttinger compensated magnetism not only has the zero total magnetic moment as the antiferromagnetism, but also has the isotropic spin splitting as the ferromagnetism, thus our work not only provides theoretical guidance for searching Luttinger compensated magnetic materials with distinctive properties, but also provides a material basis for the application in spintronic devices.

cond-mat.mtrl-sci↗

arXiv2024

Crystal valley Hall effect

The time-reversal symmetry is thought to be a necessary condition for realizing valley Hall effect. If the time-reversal symmetry is broken, whether the valley Hall effect can be realized has not been explored. In this letter, based on symmetry analysis and the first-principles electronic structure calculations, we demonstrate that the vally Hall effect without time-reversal symmetry can be realized in two-dimensional altermagnetic materials Fe$_2$WSe$_4$ and Fe$_2$WS$_4$. Due to crystal symmetry required, the vally Hall effect without time-reversal symmetry is called crystal vally Hall effect. In addition, under uniaxial strain, both monolayer Fe$_2$WSe$_4$ and Fe$_2$WS$_4$ can realize piezomagnetic effect. Under biaxial compressive stress, both monolayer Fe$_2$WSe$_4$ and Fe$_2$WS$_4$ will transform from altermagnetic semiconductor phase to bipolarized topological Weyl semimetal phase. Our work not only provides a new direction for exploring the novel valley Hall effect, but also provides a good platform for exploring altermagnetic semiconductors and altermagnetic topological phase transitions.

cond-mat.mtrl-sci↗

arXiv2024

Bipolarized Weyl semimetals and quantum crystal valley Hall effect in two-dimensional altermagnetic materials

Magnetism and topology are two major areas of condensed matter physics. The combination of magnetism and topology gives rise to more novel physical effects, which have attracted strongly theoretical and experimental attention. Recently, the concept of altermagnetism has been introduced, characterized by a dual nature: real-space antiparallel spins with zero total magnetic moment and reciprocal-space anisotropic spin polarization. The amalgamation of altermagnetism with topology may lead to the emergence of previously unobserved topological phases and the associated physical effects. In this study, utilizing a four-band lattice model that incorporates altermagnetism and spin group symmetry, we demonstrate that type-I, type-II, and type-III bipolarized Weyl semimetals can exist in altermagnetic systems. Through the first-principles electronic structure calculations, we predict four ideal two-dimensional type-I altermagnetic bipolarized Weyl semimetals Fe$_2$WTe$_4$ and Fe$_2$MoZ$_4$ (Z=S, Se, Te). More significantly, we introduce the quantum crystal valley Hall effect, a phenomenon achievable in three of these materials namely Fe$_2$WTe$_4$, Fe$_2$MoS$_4$, and Fe$_2$MoSe$_4$, when spin-orbit coupling is considered. Therefore, our work not only enriches the topological phases but also provides a material platform for studying novel topological phases in altermagnetism.

cond-mat.mtrl-sci↗

arXiv2023

Stabilizing a hydrogen-rich superconductor at 1 GPa by the charge-transfer modulated virtual high-pressure effect

Applying pressure around megabar is indispensable in the synthesis of high-temperature superconducting hydrides, such as SH$_3$ and LaH$_{10}$. Stabilizing the high-pressure phase of hydride around ambient condition is a severe challenge. Based on the density-functional theory calculations, we give the first example that the structure of hydride CaBH$_5$ predicted above 280 GPa, can maintain its dynamical stability with pressure down to 1 GPa, by modulating the charge transfer from metal atoms to hydrogen atoms via the replacement of Ca with alkali metal atoms e.g. Cs, in which the [BH$_5$]$^{2-}$ anion shrinks along $c$ axis and expands in the $ab$ plane, experiencing an anisotropic virtual high pressure. This mechanism, namely charge transfer modulated virtual high pressure effect, plays a vital role in enhancing the structural stability and leading to the reemergence of ambient-pressure-forbidden [BH$_5$]$^{2-}$ anion around 1 GPa in CsBH$_5$. Moreover, we find that CsBH$_5$ is a strongly coupled superconductor, with transition temperature as high as 98 K, well above the liquid-nitrogen temperature. Our findings provide a novel mechanism to reduce the critical pressure required by hydrogen-rich compound without changing its crystal structure, and also shed light on searching ambient-pressure high-temperature superconductivity in metal borohydrides.

cond-mat.supr-con↗

arXiv2023

Large intrinsic anomalous Hall effect in both Nb$_{2}$FeB$_{2}$ and Ta$_{2}$FeB$_{2}$ with collinear antiferromagnetism

It is rarely reported that collinear antiferromagnetic (AFM) metals can have anomalous Hall effect (AHE). In this letter, based on symmetry analysis and the first-principles electronic structure calculations, we predict that two existing collinear antiferromagnets Nb$_{2}$FeB$_{2}$ and Ta$_{2}$FeB$_{2}$, whose Néel temperatures are above room temperature, have very large AHE with anomalous Hall conductance (AHC) -100 $Ω^{-1}$ cm$^{-1}$ and $-54Ω^{-1}$ cm$^{-1}$, respectively. We further complete the symmetry resquirements for realizing the AHE in collinear antiferromagnetism.

cond-mat.mtrl-sci↗

arXiv2022

Intrinsic ferromagnetic axion states and a single pair of Weyl fermions in the stable-state Mn\emph{X}$_{2}$\emph{B}$_{2}$\emph{T}$_{6}$-family materials

The intrinsic ferromagnetic (FM) axion insulators and Weyl semimetals (WSMs) with only single pair of Weyl points have drawn intensive attention but so far remain rare and elusive in real materials. Here, we propose a new class of Mn\emph{X}$_{2}$\emph{B}$_{2}$\emph{T}$_{6}$-B (\emph{X}=Ge, Sn, or Pb; \emph{B}=Sb or Bi; \emph{T}=Se or Te) family that is the stable structural form of this system. We find that the Mn\emph{X}$_{2}$\emph{B}$_{2}$\emph{T}$_{6}$-B family has not only the intrinsic FM axion insulators MnGe$_{2}$Bi$_{2}$Te$_{6}$-B, MnSn$_{2}$Bi$_{2}$Te$_{6}$-B, and MnPb$_{2}$Bi$_{2}$Te$_{6}$-B, but also the intrinsic WSM MnSn$_{2}$Sb$_{2}$Te$_{6}$-B with only a single pair of Weyl points. Thus, the Mn\emph{X}$_{2}$\emph{B}$_{2}$\emph{T}$_{6}$-B family can provide an ideal platform to explore the exotic topological magnetoelectric effect and the intrinsic properties related to Weyl points.

cond-mat.mtrl-sci↗

arXiv2022

Superconductivity in monolayer Ba$_2$N electride: a first-principles study

The exploration of superconductivity in low-dimensional materials has attracted intensive attention for decades. Based on first-principles electronic structure calculations, we have systematically investigated the electronic and superconducting properties of the two-dimensional electride Ba$_2$N in the monolayer limit. Our results show that monolayer Ba$_2$N has a low work function of 3.0 eV and a predicted superconducting transition temperature ($T_c$) of 3.4 K. The superconductivity can be further improved with the tensile strain, which results from the increase of density of states at the Fermi level as well as the enhanced coupling between inner-layer electrons and phonons. Remarkably, at the 4$\%$ tensile strain, the acoustic branches have noticeable softening at the K point of Brillouin zone and the superconducting $T_c$ can reach 10.8 K. The effect of lattice strain on the electron transfer from the superficial region to the inner-layer region of monolayer Ba$_2$N may also apply to other electride materials and influence their physical properties.

cond-mat.supr-con↗

arXiv2021

LaO as a candidate substrate for realizing superconductivity in FeSe epitaxial film

The significantly enhanced superconducting transition temperature ($T_c$) of an FeSe monolayer on SrTiO$_3$(001) substrate has attracted extensive attention in recent years. Here, based on first-principles electronic structure calculations, we propose another candidate substrate LaO(001) for the epitaxial growth of FeSe monolayer to realize superconductivity. Our calculations show that for the optimal adsorption structure of FeSe monolayer on LaO(001), the stripe antiferromagnetic state and the dimer antiferromagnetic state are almost energetically degenerate, indicating the existence of strong magnetic fluctuation that is beneficial to the appearance of superconductivity. According to the Bader charge analysis, the calculated electron doping from the LaO substrate to the FeSe monolayer is about 0.18 electrons per Fe atom, even larger than that in case of FeSe/SrTiO$_3$(001). Since LaO was also reported to be a superconductor with $T_c$ ~ 5 K, it may have a superconducting proximity effect on the epitaxial FeSe film and vice versa. These results suggest that LaO would be an interesting substrate to study the interface-related superconductivity.

cond-mat.supr-con↗

arXiv2018

LnPd$_{2}$Sn (Ln=Sc, Y, Lu) class of Heusler alloys for topological superconductivity

Based on the first-principles electronic structure calculations and the symmetry analysis, we predict that the topological superconductivity may occur on the surface of the LnPd$_{2}$Sn (Ln=Sc, Y, Lu) class of Heusler alloys. The calculated electronic band structure and topological invariant demonstrate that the LnPd$_{2}$Sn family is topologically nontrivial. The further slab calculations show that the nontrivial topological surface states of LnPd$_{2}$Sn exist within the bulk band gap and meanwhile they cross the Fermi level. Considering that the LnPd$_{2}$Sn class of compounds were all found experimentally to be superconducting at low temperature, the surface topological superconductivity is likely to be generated via the proximity effect. Thus the LnPd$_{2}$Sn class of compounds shall be a promising platform for exploring novel topological superconductivity and handling Majorana zero modes.

cond-mat.mtrl-sci↗

arXiv2018

The melilite-type compound (Sr$_{1-x}$,$A_x$)$_2$MnGe$_2$S$_6$O ($A$=K, La) being a room temperature ferromagnetic semiconductor

The seeking of room temperature ferromagnetic semiconductors, which take advantages of both the charge and spin degrees of freedom of electrons to realize a variety of functionalities in devices integrated with electronic, optical, and magnetic storage properties, has been a long-term goal of scientists and engineers. Here, by using the spin-polarized density functional theory calculations, we predict a new series of high temperature ferromagnetic semiconductors based on the melilite-type oxysulfide Sr$_2$MnGe$_2$S$_6$O through hole (K) and electron (La) doping. Due to the lack of strong antiferromagnetic superexchange between Mn ions, the weak antiferromagnetic order in the parent compound Sr$_2$MnGe$_2$S$_6$O can be suppressed easily by charge doping with either $p$-type or $n$-type carriers, giving rise to the expected ferromagnetic order. At a doping concentration of 25%, both the hole-doped and electron-doped compounds can achieve a Curie temperature ($T_\text{c}$) above 300 K. The underlying mechanism is analyzed. Our study provides an effective approach for exploring new types of high temperature ferromagnetic semiconductors.

cond-mat.mtrl-sci↗

arXiv2018

Magnetic interactions in a proposed diluted magnetic semiconductor (Ba$_\text{1-x}$K$_\text{x}$)(Zn$_\text{1-y}$Mn$_\text{y}$)$_\text{2}$P$_\text{2}$

By using first-principles electronic structure calculations, we have studied the magnetic interactions in a proposed BaZn$_2$P$_2$-based diluted magnetic semiconductor (DMS). For a typical compound Ba(Zn$_{0.944}$Mn$_{0.056}$)$_2$P$_2$ with only spin doping, due to the superexchange interaction between Mn atoms and the lack of itinerant carriers, the short-range antiferromagnetic coupling dominates. Partially substituting K atoms for Ba atoms, which introduces itinerant hole carriers into the $p$ orbitals of P atoms so as to link distant Mn moments with the spin-polarized hole carriers via the $p$-$d$ hybridization between P and Mn atoms, is very crucial for the appearance of ferromagnetism in the compound. Furthermore, applying hydrostatic pressure first enhances and then decreases the ferromagnetic coupling in (Ba$_{0.75}$K$_{0.25}$)(Zn$_{0.944}$Mn$_{0.056}$)$_2$P$_2$ at a turning point around 15 GPa, which results from the combined effects of the pressure-induced variations of electron delocalization and $p$-$d$ hybridization. Compared with the BaZn$_2$As$_2$-based DMS, the substitution of P for As can modulate the magnetic coupling effectively. Both the results for BaZn$_2$P$_2$-based and BaZn$_2$As$_2$-based DMSs demonstrate that the robust antiferromagnetic (AFM) coupling between the nearest Mn-Mn pairs bridged by anions is harmful to improving the performance of this II-II-V based DMS materials.

cond-mat.mtrl-sci↗

arXiv2017

Pressure-induced topological phase transition in LaSb: First-principles study

By using first-principles electronic structure calculations, we predict that the extreme magnetoresistance (XMR) material LaSb takes a topological phase transition without breaking any symmetry under a hydrostatic pressure applied between 3 and 4 GPa, meanwhile the electron-hole compensation remains in its electronic band structure. Thus LaSb provides an ideal platform for studying the individual role of topological property playing in the XMR phenomenon, in addition to the electron-hole compensation. This has general implication to the relationship of XMR effect and topological property in topological materials.

cond-mat.mtrl-sci↗

arXiv2016

Type-II Dirac semimetals in the YPd$_2$Sn class

The Lorentz-invariance-violating Weyl and Dirac fermions have recently attracted intensive interests as new types of particles beyond high-energy physics, and they demonstrate novel physical phenomena such as angle-dependent chiral anomaly and topological Lifshitz transition. Here we predict the existence of Lorentz-invariance-violating Dirac fermions in the YPd$_2$Sn class of Heusler alloys that emerge at the boundary between the electron-like and hole-like pockets in the Brillouin zone, based on the first-principles electronic structure calculations. In combination with the fact that this class of materials was all reported to be superconductors, the YPd$_2$Sn class provides an appropriate platform for studying exotic physical properties distinguished from conventional Dirac fermions, especially for realizing possible topological superconductivity.

cond-mat.mtrl-sci↗

arXiv2016

Ultrafast THz Field Control of Electronic and Structural Interactions in Vanadium Dioxide

Vanadium dioxide, an archetypal correlated-electron material, undergoes an insulator-metal transition near room temperature that exhibits electron-correlation-driven and structurally-driven physics. Using ultrafast optical spectroscopy and x-ray scattering we show that these processes can be disentangled in the time domain. Specifically, following intense sub-picosecond electric-field excitation, a partial collapse of the insulating gap occurs within the first ps. Subsequently, this electronic reconfiguration initiates a change in lattice symmetry taking place on a slower timescale. We identify the kinetic energy increase of electrons tunneling in the strong electric field as the driving force, illustrating a novel method to control electronic interactions in correlated materials on an ultrafast timescale.

cond-mat.str-el↗

arXiv2016

Perfect charge compensation in extremely large magnetoresistance materials LaSb and LaBi revealed by the first-principles calculations

By the first-principles electronic structure calculations, we have systematically studied the electronic structures of recently discovered extremely large magnetoresistance (XMR) materials LaSb and LaBi. We find that both LaSb and LaBi are semimetals with the electron and hole carriers in perfect balance. The calculated carrier densities in the order of $10^{20}$ cm$^{-3}$ are in good agreement with the experimental values, implying long mean free time of carriers and thus high carrier mobilities. With a semiclassical two-band model, the perfect charge compensation and high carrier mobilities naturally explain (i) the XMR observed in LaSb and LaBi; (ii) the non-saturating quadratic dependence of XMR on external magnetic field; and (iii) the resistivity plateau in the turn-on temperature behavior at very low temperatures. The explanation of these features without resorting to the topological effect indicates that they should be the common characteristics of all perfectly electron-hole compensated semimetals.

cond-mat.mtrl-sci↗