arXiv subjects

Zhenxiang Cheng

Publications and source records attributed to Zhenxiang Cheng.

At least 19 recordsLinked to original sources

arXiv2026

Hybrid-parity sliding multiferroics

In this work, we introduce a class of hybrid-parity sliding multiferroics in which the spontaneous ferroelectric polarization is coupled to certain nonrelativistic spin splitting components through interlayer sliding, allowing these components to be reversibly switched in an electrical way. Symmetry analysis identifies coplanar magnets as natural platforms for realizing this form of sliding multiferroicity. First-principles calculations establish bilayer VBr$_2$ as a representative example, demonstrating the coupled reversal of the out-of-plane ferroelectric polarization and the signs of both even- and odd-parity nonrelativistic spin splitting components via an interlayer-sliding pathway. The signs of these nonrelativistic spin splitting components are locked to the sliding-switchable ferroelectric polarization and encoded in the spin-current responses, providing a signature of the coupled ferroic switching. Our findings expand the scope of sliding multiferroics and the functionality of sliding ferroelectrics for low-energy, nonvolatile logic devices.

cond-mat.mtrl-sci↗

arXiv2026

Ferroelectric Band Twinning from Pair-State Symmetry

Ferroelectric switching provides a nonvolatile way to control electronic structures, but a general symmetry rule connecting the full Bloch bands of two switchable polarization states is still lacking. Here, we introduce ferroelectric band twinning, a pair-state relation in which the bands of two opposite-polarization states are mapped onto each other by a non-inversion state-exchange symmetry. Using dichromatic groups, we derive the band-twinning rule and identify 11 ferroelectric band-twinning point-group classes. Screening the Ferroelectric Materials Database yields 16 candidate compounds, of which the two lattice-metric-preserving candidates, bulk gamma-Ag3SI and BaAl2O4, are selected for first-principles validation. For gamma-Ag3SI, we further show that the same pair-state symmetry controls the transformation of shift-current tensor components under polarization reversal. These results establish ferroelectric band twinning as a general symmetry framework for nonvolatile control of momentum-dependent electronic structures in ferroelectrics.

cond-mat.mtrl-sci↗

arXiv2026

Interstitial-Electron Altermagnetism in Two Dimensions

Altermagnetism has so far been associated with compensated magnetic moments carried by atoms. Here we introduce Stoner instability induced interstitial-electron altermagnetism, a distinct mechanism in which altermagnetic order is carried instead by interstitial anionic electrons in electrides. We show that, owing to the quasi-nucleus-free nature of interstitial electrons, the Stoner instability in electrides hosting two interstitial electrons can naturally stabilize an altermagnetic state rather than the conventional ferromagnetic one. This mechanism leads to a practical design principle for two-dimensional materials, from which we identify monolayers Zr2N and Ti2N as representative candidates. The strong sensitivity of interstitial electrons to cavity size enables efficient strain control of the altermagnetic order and a pronounced piezo-altermagnetic effect. Moreover, we investigate the evolution of the magnetism in Zr2N under ultrafast laser excitation, which exhibits dynamics distinct from those in all previously reported magnetic materials where magnetism is carried by real atoms. Our work not only offers a novel pathway to realize altermagnetism but also reveals an efficient non-magnetic route for its control.

cond-mat.str-el↗

arXiv2026

Robust Electrocaloric Performance Enabled by Highly-Polar Frustrated Nanodomains in NaNbO3-Based Ferrodistortive Relaxor

Solid-state refrigeration technologies, represented by electrocaloric effect (ECE), are renowned for zero global-warming-potential and high cooling efficiency. Synergistically achieving high electrocaloric effect ({\Delta}T) and wide temperature span ({\Delta}Tspan) for EC materials takes a leapfrog toward practical cooling applications, typical for integrated circuits. Guided by phase-field simulation, Ba(Ti, Hf)O3 dubbed as a polar wrench, establishes polar frustration by setting up local stress field and manipulating octahedral oxygen tilt (OOT) in NaNbO3-based relaxor. The resultant P4bm framework entails short-range and highly-polar ferrodistortive nanodomains, i.e., the abundant highly-polar nanodomains facilitate to increase entropy change and robust OOT enables to impede thermal perturbations. Consequently, a large {\Delta}T of 0.85 K and 0.70 K with an ultrawide {\Delta}Tspan of 118 K and 130 K is obtained, contributing to an ultrahigh figure of merit of > 90 K2 in NaNbO3-Ba(Ti, Hf)O3, significantly outperforms its counterparts. The local structure responsible for robust EC performances are decrypted through 2D information from atomic-resolution scanning transmission electron microscope, 3D big-box model constructed from neutron total scattering and DFT calculations. These findings highlight that polar frustration strategy in ferrodistortive relaxor enables to pioneer emergent EC performances, and also unearth potential entropy-change-based ferroelectric and ferromagnetic materials beyond.

cond-mat.mtrl-sci↗

arXiv2025

Anharmonicity-driven phonon avoided crossing and anomalous thermal transport in nodal-line semimetal ZrSiS

Understanding thermal and electrical transport in topological materials is essential for advancing their applications in quantum technologies and energy conversion. Herein, we employ first-principles calculations to systematically investigate phonon and charge transport in the prototypical nodal-line semimetal ZrSiS. The results unveil that anharmonic phonon renormalization results in the pronounced softening of heat-carrying phonons and suppressed lattice thermal conductivity ($\kappa_{\rm L}$). Crucially, anharmonic effects are found to noticeably weaken Zr-S interactions, triggering avoided-crossing behavior of low-frequency optical phonons. The combination of phonon softening and avoided crossing synergistically reduces phonon group velocities, yielding a 16\% suppression in $\kappa_{\rm L}$ along the $c$-axis at room temperature. Contrary to conventional metals, we discover that the lattice contribution to thermal conductivity in ZrSiS is abnormally large, even dominating heat conduction along the $c$-axis. This unusual behavior results in a substantial deviation of the Lorenz number from the Sommerfeld value -- exceeding it by up to threefold -- thereby challenging the validation of standard Wiedemann-Franz law for thermal conductivity estimation. Moreover, our calculations demonstrate that ZrSiS exhibits exceptional electrical conductivity, attributed to its topological electronic Dirac states that account for both high Fermi velocities and weak electron-phonon coupling. This study provides critical insights into the electrical and thermal transport mechanisms in ZrSiS and highlights the importance of anharmonic effects in the lattice dynamics and thermal transport of metallic materials.

cond-mat.mtrl-sci↗

arXiv2025

Electric-Field Control of Terahertz Response via Spin-Corner-Layer Coupling in Altermagnetic Bilayers

Electric field control of electron charge and spin degrees of freedom is fundamental to modern semiconductor and spintronic devices. Yet controlling electromagnetic waves with an electric field, particularly in the terahertz (THz) band, remains a challenge. Here, we propose a spin-corner-layer coupling (SCLC) mechanism in second-order topological altermagnetic bilayers. By using an electric field to influence electrons between different layers, the SCLC mechanism enables simultaneous control over corner and spin degrees of freedom, thereby allowing electric-field tuning of the absorption, emission intensity, and even polarization of THz waves. Taking bilayer NiZrI$_6$ nanodisks as a prototype, we demonstrate that an ultralow electrostatic field can switch both the spin and the layer polarizations of corner states. This dual switching modulates transition dipole moments and oscillator strengths between different corner states, thereby enabling the manipulation of THz waves. This study establishes a mechanism for the electric-field control of spin and THz waves through SCLC, yielding important implications for the advancement of THz spintronics.

cond-mat.mtrl-sci↗

arXiv2025

Moir\'e spintronics: Emergent phenomena, material realization and machine learning accelerating discovery

Twisted van der Waals (vdW) materials have emerged as a promising platform for exploring exotic quantum phenomena and engineering novel material properties in two dimensions, potentially revolutionizing developments in spintronics. This Review provides an overview of recent progress on emerging moir\'e spintronics in twisted vdW materials, with a particular focus on two-dimensional magnetic materials. Following a brief introduction to the general features of twisted vdW materials, we discuss recent theoretical and experimental studies on stacking-dependent interlayer magnetism, non-collinear spin textures, moir\'e magnetic exchange interactions, moir\'e skyrmions and moir\'e magnons. We further highlight the potential of machine learning to accelerate the discovery and design of multifunctional materials for moir\'e spintronics. Finally, we conclude by addressing the most pressing challenges and potential opportunities in this rapidly expanding field.

cond-mat.mes-hall↗

arXiv2025

Chiral Altermagnetic Magnetoelectrics

In this work, we introduce a new class of chiral altermagnetic magnetoelectrics in structurally chiral, nonpolar altermagnetic systems and identify the experimentally well-characterized three-dimensional metal-organic framework K[Co(HCOO)$_3$] as a promising material platform. K[Co(HCOO)$_3$] exhibits chirality-locked \emph{g}-wave altermagnetic spin splitting together with dual-mode switchable electric polarization controlled by N\'eel-vector reorientation and structural chirality. Specifically, N\'eel-vector reorientation generates a finite electric polarization and reverses its sign, whereas chirality switching between left- and right-handed enantiomers produces an additional sign reversal. The associated electronic and optical responses provide effective readout channels for these switchable states. Our results establish chiral altermagnetic magnetoelectrics as a promising route to chirality- and N\'eel-vector-controlled nonvolatile multifunctional spintronics.

cond-mat.mtrl-sci↗

arXiv2025

Sliding Ferroelectric Metal with Ferrimagnetism

Two-dimensional (2D) sliding ferroelectric (FE) metals with ferrimagnetism represent a previously unexplored class of spintronic materials, featuring out-of-plane FE polarization, metallic conductivity, and a finite net magnetization, which together enable electrically tunable spintronic functionalities via FE switching. Here, based on antiferromagnetic (AFM) metallic bilayers, we propose a general strategy for constructing 2D sliding FE ferrimagnetic (FiM) metals that can achieve triply-coupled switching, in which the FE polarization, spin splitting, and net magnetization are reversed simultaneously through FE switching. As a prototypical realization, we design a bilayer sliding FE metal with FiM order, derived from monolayer Fe$_5$GeTe$_2$ -- a van der Waals metal with intrinsic ferromagnetic order close to room temperature. The system exhibits a FE transition from a nonpolar (NP) AFM phase to a FE FiM phase via interlayer sliding. The in-plane mirror symmetry breaking in FE metallic states lifts the nonrelativistic spin degeneracy that exists in the NP phase, leading to a sizable net magnetic moment. Furthermore, the interplay between metallicity, ferroelectricity, and ferrimagnetism gives rise to pronounced sign-reversible transport responses near the Fermi level, all of which can be electrically controlled by FE switching. Our results establish sliding FE metals with FiM as a promising platform for electrically reconfigurable, high-speed, and low-dissipation spintronic devices.

cond-mat.mtrl-sci↗

arXiv2025

Phonon density of states of magnetite (\ce{Fe3O4}) nanoparticles via molecular dynamics simulations

This study presents a comprehensive computational investigation of magnetite nanoparticles, systematically evaluating a range of force fields against experimental results. We analyze the influence of particle size, temperature, and surface-adsorbed water molecules on the structural and dynamic properties of the nanoparticles. We performed classical molecular dynamics of nanoparticles and bulk magnetite and utilized density functional theory calculations for bulk magnetite for comparison. Our results reveal that nanoparticle size and the presence of adsorbed water molecules have a pronounced impact on the density of states. Specifically, as the nanoparticle size is decreased, phonon modes exhibit significant broadening and softening, which is attributable to reduced phonon lifetimes resulting from enhanced boundary scattering. The incorporation of water further broadens the density of states and extends the spectra to higher energy regions. Temperature variations result in a slight broadening and softening of the phonon density of states, particularly in the oxygen-dominated region, which is attributed to phonon anharmonicity.

cond-mat.mtrl-sci↗

arXiv2025

Tuning the Surface States of $Fe_3O_4$ Nanoparticles for Enhanced Magnetic Anisotropy and Induction Efficacy

Magnetite ($Fe_3O_4$) nanoparticles are crucial for biomedical applications, including magnetic hyperthermia, targeted drug delivery, and MRI contrast enhancement, due to their biocompatibility and unique physicochemical properties. Here, we investigate how surface states influence their induction performance. Heat treatment removes surface water and FeOOH, forming a ${\gamma}$-$Fe_2O_3$ shell, as confirmed by synchrotron powder diffraction, neutron powder diffraction, thermogravimetric analysis, X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, and time-of-flight inelastic neutron spectroscopy. AC magnetic susceptibility measurements reveal that this surface modification enhances magnetic anisotropy and reduces the spin relaxation time, leading to a 140% increase in the specific absorption rate. Additionally, the increased anisotropy suppresses the low-temperature clustered spin-glass transition and raises the blocking temperature. These findings highlight surface-state engineering as a powerful approach to optimizing $Fe_3O_4$ nanoparticles for biomedical applications.

cond-mat.mes-hall↗

arXiv2025

Altermagnetic Multiferroics: Symmetry-Locked Magnetoelectric Coupling

Multiferroics exhibit significant potential for low-power spintronic devices due to magnetoelectric coupling. Here, we discuss an emerging class of altermagnetic multiferroics, a system demonstrating distinct advantages including zero net magnetization (eliminating stray fields), momentum-dependent spin splitting (enabling electric-field control of spin currents), and intrinsic strong magnetoelectric coupling originating from spin-space symmetry.

cond-mat.mtrl-sci↗

arXiv2025

Lithium and Vanadium Intercalation into Bilayer V2Se2O: Ferrimagnetic-Ferroelastic Multiferroics and Anomalous and Spin Transport

Spin splitting in emerging altermagnets is non-relativistic and momentum-dependent, yet energy-independent, and localized in momentum space, posing challenges for practical applications. Here, we propose an intercalation-driven paradigm for altermagnets to attain ameliorative electronic structures, multiferroic characteristics, and anomalous and spin transport functionalities. As a representative system, we investigate electrochemistry- and self-intercalated V2Se2O bilayers, building on the recently reported room-temperature K- and Rb-intercalated V2Se2O family [Nat. Phys. 2025, 21, 754; Nat. Phys. 2025, 21, 760], utilizing density functional theory, Wannier function analyses, Monte Carlo simulations, and non-equilibrium Green function methods. Intercalation induces room-temperature intralayer ferrimagnetic and interlayer ferromagnetic order (358 K for Li-intercalation and 773 K for V-intercalation), ferroelasticity (~1 % signal intensity), in-plane uniaxial magnetic anisotropy, and metallization, while also modifying the anomalous Hall effect. Notably, Li- and V-intercalated V2Se2O bilayers exhibit enhanced spin splitting and half-metallic behavior, respectively, yielding near-perfect spin filtering efficiency. Intercalation substantially enhances spin transport in V2Se2O-based devices, enabling giant magnetoresistance (877 %), ultra-high thermal tunneling magnetoresistance (~12000 %), and observable spin Seebeck and temperature negative differential resistance effects. This intercalation-driven paradigm expands altermagnetic functionalities through multifunctional integration, offering promising avenues for advanced, miniaturized, room-temperature exploitation of anomalous, electron, and spin transport properties.

cond-mat.mtrl-sci↗

arXiv2025

Spin-Polarized Antiferromagnetic Spintronics

Spin-polarized antiferromagnets (AFMs), including altermagnets, noncollinear AFMs, and two-dimensional layer-polarized AFMs, have emerged as transformative materials for next-generation spintronic and optoelectronic technologies. These systems uniquely combine spin-polarized electronic states with vanishing net magnetization, enabling ultrafast spin dynamics, high-density integration, and robustness against stray magnetic fields. Their unconventional symmetry-breaking mechanisms-governed by crystal symmetry, chiral spin textures, or interlayer potential control-give rise to emergent phenomena previously exclusive to ferromagnets: nonrelativistic spin-momentum locking, spontaneous anomalous transport phenomena, gate-tunable magneto-optical responses, and nonrelativistic spin-polarized current. This review systematically examines the fundamental principles linking symmetry, band topology, and transport properties across these material classes, synthesizing recent breakthroughs in both theory and experiment. We further identify critical challenges in achieving room-temperature functionality, scalable Neel vector control, and coherent spin-current manipulation, while outlining pathways to harness these materials for ultra-low-power memory, spin-logic architectures, and quantum information technologies.

cond-mat.mtrl-sci↗

arXiv2025

Unconventional topological Weyl-dipole phonon

A pair of Weyl points (WPs) with opposite Chern numbers ${\cal{C}}$ can exhibit an additional higher-order $Z_2$ topological charge, giving rise to the formation of a $Z_2$ Weyl dipole. Owing to the nontrivial topological charge, $Z_2$ Weyl dipoles should also appear in pairs, and the WPs within each $Z_2$ Weyl dipole can not be annihilated when meeting together. As a novel topological state, the topological Weyl-dipole phase (TWDP) has garnered significant attention, yet its realization in crystalline materials remains a challenge. Here, through first-principles calculations and theoretical analysis, we demonstrate the existence of the Weyl-dipole phase in the phonon spectra of the $P6_3$ type Y(OH)$_3$. Particularly, the Weyl dipole in this system is protected by a quantized quadrupole moment, and it distinguished from conventional Weyl dipole, as it comprises an unconventional charge-3 WP with ${\cal{C}}=-3$ and three conventional charge-1 WPs with ${\cal{C}}=1$. Consequently, the Weyl-dipole phase in Y(OH)$_3$ features unique two-dimensional (2D) sextuple-helicoid Fermi-arc states on the top and bottom surfaces, protected by the Chern number, as well as one-dimensional (1D) hinge states that connect the two Weyl dipoles along the side hinges, guaranteed by the quantized quadrupole moment. Our findings not only introduce a novel higher-order topological phase, but also promote Y(OH)$_3$ as a promising platform for exploring multi-dimensional boundaries and the interaction between first-order and second-order topologies.

cond-mat.mtrl-sci↗

arXiv2025

Observation of a $Pbca$ phase and robust metallicity in $\rm{RuO_2}$ under pressure

$\rm{RuO_2}$ stands as a quintessential rutile-type compound under ambient conditions, with its structural exploration under pressure bearing significant implications for both phase transition investigations and Earth science. Nonetheless, the precise phase transition sequence remains a debate. In this study, we disclose the emergence of the $Pbca$ phase alongside the enduring metallic character of $\rm{RuO_2}$ under megabar pressure. Employing state-of-the-art synchrotron X-ray diffraction, our observations delineate a phase transition trajectory progressing through rutile, $\rm{CaCl_2}$, and ultimately $Pbca$ phases. Notably, the $Pbca$ phase manifests immediately just after the rutile-$\rm{CaCl_2}$ transition, confining a narrow pressure regime for the pure $\rm{CaCl_2}$-type phase. Within the pressure range of 15.5 to 35.0 GPa, a coexistence of the $\rm{CaCl_2}$-type and $Pbca$ phases is observed, transforming to a sole presence of the $Pbca$ phase beyond 35.0 GPa. Electrical transport measurements conducted on both single crystal and powder samples confirm the enduring metallic conductivity of $\rm{RuO_2}$, persisting up to at least $\sim$120 GPa, albeit exhibiting a diminished conductivity at ultrahigh pressures due to a reduction in electronic density of states at the Fermi level. This study furnishes compelling evidence for the presence of the $Pbca$ phase across a broad pressure range, diverging from the previously widely acknowledged $Pa\bar{3}$ phase, thereby offering crucial insights into phase transition phenomena in other metal dioxides and advancing our comprehension of electronic behaviors within 4d and 5d electron systems.

cond-mat.mtrl-sci↗

arXiv2024

Robust magnetoelectric coupling in altermagnetic-ferroelectric type-III multiferroics

Multiferroic materials, characterized by the coexisting of ferroelectric polarization (breaking spatial inversion symmetry) and magnetism (breaking time-reversal symmetry), with strong magnetoelectric coupling, are highly sought after for advanced technological applications. Novel altermagnets, distinct from conventional magnets, have recently been revealed to exhibit unique spin polarization protected by crystal symmetry, which naturally overcomes the isolation of magnetism from ferroelectrics associated with spatial symmetry. In this study, we propose a novel class of type-III multiferroics, where ferroelectricity and altermagnetism are inherently interlocked by crystal symmetry, setting them apart from conventional multiferroics. Through first-principles calculations, ferroelectric switching is shown to fully invert the spin polarization of altermagnets, equivalent to a 180{\deg} reversal of magnetic spin. This strong magnetoelectric coupling is further supported by the magneto-optical Kerr effect, revealing a new class of multiferroics with robust, symmetry-driven magnetoelectric coupling and providing a theoretical foundation for the design of next-generation spintronic devices leveraging altermagnetism.

cond-mat.mtrl-sci↗

arXiv2024

Coexistence of superconductivity and sliding polar metal state in HgPSe3

The simultaneous presence of polarity and metallicity in a material signifies an exotic polar metal state, but such materials are extremely rare, especially in bulk form, due to mutually exclusive nature of the fundamental defining properties. Here, we report experimental findings that HgPSe3 is a robust bulk polar metal at room temperature with a chiral structure stabilized by pressure and, remarkably, this polar metal hosts superconductivity with critical temperature Tc up to 11 K. Theoretical analysis reveals a two-step interlayer sliding-then-compressing mechanism for coexistence of polarity and metallicity in HgPSe3. This work unveils a new paradigm for creating the bulk polar metal state and simultaneous presence of coexisting quantum orders, raising the prospect of discovering novel emergent physics using pressure as a tuning knob.

cond-mat.supr-con↗