arXiv subjects

Xunkai Duan

Publications and source records attributed to Xunkai Duan.

9 recordsLinked to original sources

arXiv2026

Giant-exchange-driven Vectorial Control of a Minimal Topological Magnet in Eu3In2As4

The interplay between magnetism and band topology provides a route to controlling quantum states of matter, yet its realization in materials is often constrained by weak exchange coupling and complex electronic structures. Here, a giant exchange coupling is identified in the newly predicted topological magnet Eu3In2As4, giving rise to magnetization-dependent band shifts of up to 300 meV. Together with its intrinsically soft magnetic response, this strong cou-pling enables systematic tuning of topological phases by both the magnitude and orientation of applied magnetic fields. The magneto-topological phase diagram is mapped out in which an antiferromagnetic topological insulator ground state evolves, under modest fields, into a pro-posed intermediate 2/3-ferrimagnetic phase, and further into fully polarized ferromagnetic states predicted to host either Weyl or nodal-ring semimetals. Notably, the Weyl phase corresponds to a minimal model hosting a single pair of Weyl nodes. Quantum oscillations, anomalous Hall transport and magneto-infrared spectroscopy consistently reveal exchange-driven band recon-struction across these transitions. Rotation of the magnetization theoretically provides an effi-cient means to tune the momentum-space positions and separations of the Weyl nodes. These results establish Eu3In2As4 as a model system for exploring how strong exchange coupling can be used to control topological band structures with minimal complexity.

cond-mat.mtrl-sci↗

arXiv2026

Surface Functionalization Enables Two-Dimensional Altermagnetism and Giant Tunnel Magnetoresistance

Two-dimensional (2D) altermagnets (AMs) are highly desirable for ultrafast, stray-field-free spintronics because they combine compensated magnetic order and momentum-dependent spin splitting with the scalability, tunability, and interface compatibility of atomically thin materials. However, practical 2D AMs remain scarce. Rather than relying solely on the search for intrinsic 2D AMs, an appealing route is to transform known 2D antiferromagnets (AFMs) into AMs through symmetry engineering. Here, we propose surface functionalization as a symmetry-guided, nonvolatile chemical switch for realizing this AFM-to-AM transformation. By breaking inversion and out-of-plane mirror symmetries while preserving the rotation symmetry connecting opposite-spin sublattices, single-sided functionalization lifts spin degeneracy and induces altermagnetic spin splitting. Using monolayer FeSe as a representative platform, first-principles calculations show that hydrogenation, oxidation, and fluorination convert spin-degenerate antiferromagnetic FeSe into a d-wave AM with pronounced momentum-dependent spin splitting. At the device level, our transport simulations reveal that the functionalized FeSe monolayer magnetic tunnel junctions exhibit giant tunnel magnetoresistance (TMR) up to $1.87\times10^3\%$, originating from momentum-selective spin filtering between parallel and antiparallel N\'eel-vector configurations. The strong dependence of TMR on functionalization geometry further demonstrates that surface chemistry provides an effective control knob for altermagnetic transport. Our work establishes a symmetry-to-chemistry-to-device strategy for engineering 2D AMs and developing high-performance altermagnetic spintronic devices.

cond-mat.mtrl-sci↗

arXiv2026

Altermagnetic Proximity Effect

Proximity effects not only complement the conventional methods of designing materials, but also enable realizing properties that are not present in any constituent region of the considered heterostructure. Here we reveal an unexplored altermagnetic proximity effect (AMPE), distinct from its ferromagnetic and antiferromagnetic counterparts. Using first-principles and model analyses of van der Waals heterostructures based on the prototypical altermagnet V$_2$Se$_2$O, we show that its hallmark momentum-alternating spin splitting can be directly imprinted onto adjacent nonmagnetic layers -- a process we term altermagnetization. This is demonstrated in a monolayer PbO through characteristic band splitting and real-space spin densities, with systematic dependence on interlayer spacing and magnetic configuration. We further predict broader AMPE manifestations: Valley-selective spin splitting in a monolayer PbS and a topological superconducting phase in monolayer NbSe$_2$, both inheriting the alternating $k$-space spin texture of the altermagnet. These results establish AMPE not only as a distinct proximity mechanism, but also as a powerful method of using altermagnetism in designing emergent phenomena and versatile applications.

cond-mat.mtrl-sci↗

arXiv2026

Symmetry-Driven Unconventional Magnetoelectric Coupling in Perovskite Altermagnets: From Bulk to the Two-Dimensional Limit

The emergence of altermagnets establishes a new paradigm for multiferroics. Unlike conventional multiferroics relying on direct magnetoelectric coupling, multiferroic altermagnets host a crystal-symmetry-mediated magnetoelectric interaction that is intrinsically more efficient and robust. Among candidate material platforms, layered perovskites are particularly appealing owing to their structural diversity and synthetic versatility. However, magnetoelectric properties at the two-dimensional scale remain largely unexplored, hindering their applicability in miniaturized, highly integrated devices. Here, we systematically investigate the dimensional evolution of ferroelectric polarization and magnetism in perovskite systems through symmetry analysis. We demonstrate that altermagnetism can persist in the two-dimensional limit, yet is strongly constrained by the magnetic configuration-with only C-type antiferromagnetic order supporting it. Based on mode-decomposition calculations, we further reveal that symmetry-restricted multimode couplings simultaneously govern ferroelectric polarization and altermagnetic spin splitting. Finally, combined with first-principles calculations, we propose several strategies to lift the magnetic-configuration constraint, extending the range of viable altermagnetic systems. These results underscore the critical role of dimensionality in symmetry-driven magnetoelectric coupling in perovskite altermagnets and pave the way toward next-generation electrically controlled spintronic and multiferroic devices.

cond-mat.mtrl-sci↗

arXiv2025

Defect Engineering for Stabilizing Magnetic and Topological Properties in Mn(Bi1-xSbx)2Te4

MnBi2Te4 is a versatile platform for exploring diverse topological quantum states, yet its potential is hampered by intrinsic antisite defects. While Sb substitution has been employed to tune the Fermi level towards the charge neutral point, it exacerbates the formation of Mn-Sb antisite defects. Here, we address this challenge by combining first-principles calculations with strategic synthesis to systematically investigate and control antisite defects in Mn(Bi1-xSbx)2Te4. Our calculations reveal that increasing antisite defect density progressively destroys the field-forced magnetic Weyl state, eventually driving the system into a trivial magnetic insulator. Motivated by these findings, we develop an optimized chemical vapor transport method, yielding high-quality Mn(Bi1-xSbx)2Te4 crystals with significantly reduced antisite defect density. The emergence of strong Shubnikov-de Haas oscillations in the forced ferromagnetic state and a pronounced anomalous Hall effect near charge neutrality, with opposite signs for n- and p-type samples, confirms the type-II Weyl semimetal nature. These findings underscore the critical role of antisite defects in determining the magnetic and topological properties of Mn(Bi1-xSbx)2Te4 and establish defect engineering via optimized synthesis as a crucial strategy for realizing its exotic magnetic topological states.

cond-mat.mtrl-sci↗

arXiv2025

Altermagnetoelectric Spin Field Effect Transistor

Spin field-effect transistors (SFETs) are promising candidates for low-power spin-based electronics, yet existing realizations that rely on spin-orbit coupling are constrained by limited material choices and short spin-coherence lengths. Here we propose a different operating principle based on multiferroic altermagnets, in which spin splitting is tuned by an electric field through symmetry control rather than conventional spin-orbit physics. Using an effective model combined with quantum transport simulations, we show that the conductance is determined by the degree of matching between the electrically controlled spin texture of the channel and the fixed spin polarization of ferromagnetic contacts, enabling clear ON and OFF states. Remarkably, we also address a long-standing challenge in multiferroic device design: spintronic channels require metallic carriers, whereas ferroelectricity is usually suppressed in metals. We resolve this conflict by imprinting multiferroic altermagnetism into highly conductive materials via the proximity effect. First-principles calculations for graphene on multiferroic vanadium sulfide halides confirm that graphene acquires a ferroelectrically switchable spin splitting while retaining its metallic character. These results establish a practical route to SFET implementation and identify multiferroic altermagnets as a versatile platform for next-generation spintronic devices.

cond-mat.mtrl-sci↗

arXiv2025

Emergent Multiferroic Altermagnets and Spin Control via Noncollinear Molecular Polarization

Altermagnets, with spin splitting and vanishing magnetization, have been attributed to many fascinating phenomena and potential applications. In particular, integrating ferroelectricity with altermagnetism to enable magnetoelectric coupling and electric control of spin has drawn significant attention. However, its experimental realization and precise spin manipulation remain elusive. Here, by focusing on molecular ferroelectrics, the first discovered ferroelectrics renowned for their highly controllable molecular polarizations and structural flexibility, we reveal that these obstacles can be removed by an emergent multiferroic altermagnets with tunable spin polarization in a large class of fabricated organic materials. Using a symmetry-based design and a tight-binding model, we uncover the underlying mechanism of such molecular ferroelectric altermagnets and demonstrate how noncollinear molecular polarization can switch the spin polarization on and off and even reverse its sign. From the first-principles calculations, we verify the feasibility of these materials in a series of well-established hybrid organic-inorganic perovskites and metal-organic frameworks. Our findings bridge molecular ferroelectrics and altermagnetic spintronics, highlighting an unexplored potential of multifunctional organic multiferroics.

cond-mat.mtrl-sci↗

arXiv2025

Two-Dimensional Ferroelectric Altermagnets: From Model to Material Realization

Multiferroic altermagnets offer new opportunities for magnetoelectric coupling and electrically tunable spintronics. However, due to intrinsic symmetry conflicts between altermagnetism and ferroelectricity, achieving their coexistence, known as ferroelectric altermagnets (FEAM), remains an outstanding challenge, especially in two-dimensional (2D) systems. Here, we propose a universal, symmetry-based design principle for 2D FEAM, supported by tight-binding models and first-principles calculations. We show that lattice distortions can break spin equivalence and introduce the necessary rotation-related symmetry, enabling altermagnetism with electrically reversible spin splitting. Guided by this framework, we identify a family of 2D vanadium oxyhalides and sulfide halides as promising FEAM candidates. In these compounds, pseudo Jahn-Teller distortions and Peierls-like dimerization cooperatively establish the required symmetry conditions. We further propose the magneto-optical Kerr effect as an experimental probe to confirm FEAM and its electric spin reversal. Our findings provide a practical framework for 2D FEAM and advancing electrically controlled spintronic devices.

cond-mat.mtrl-sci↗

arXiv2025

Antiferroelectric Altermagnets: Antiferroelectricity Alters Magnets

Magnetoelectric coupling is crucial for uncovering fundamental phenomena and advancing technologies in high-density data storage and energy-efficient devices. The emergence of altermagnets, which unify the advantages of ferromagnets and antiferromagnets, offers unprecedented opportunities for magnetoelectric coupling. However, electrically tuning altermagnets remains an outstanding challenge. Here, we demonstrate how this challenge can be overcome by using antiferroelectricity and ferroelectricity to modulate the spin splitting in altermagnets, employing a universal, symmetry-based design principle supported by an effective model. We introduce an unexplored class of multiferroics: antiferroelectric altermagnets (AFEAM), where antiferroelectricity and altermagnetism coexist in a single material. From first-principles calculations, we validate the feasibility of AFEAM in well-established van der Waals metal thio(seleno)phosphates and perovskite oxides. We reveal the design of AFEAM ranging from two-dimensional monolayers to three-dimensional bulk structures. Remarkably, even a weak electric field can effectively toggle spin polarization in the AFEAM by switching between antiferroelectric and ferroelectric states. Our findings not only enrich the understanding of magnetoelectric coupling but also pave the way for electrically controlled spintronic and multiferroic devices.

cond-mat.mtrl-sci↗