arXiv subjects

Xiaoyan Yao

Publications and source records attributed to Xiaoyan Yao.

18 recordsLinked to original sources

arXiv2026

Antitopological magnetic textures in an antiferromagnetically coupled bilayer with frustration

The bilayer skyrmion composed of upper and lower tightly coupled skyrmions on two layers with completely compensated topological charges (called as anti-topology here), has become one feasible improvement of conventional skyrmion to realize straight motion without skyrmion Hall effect, which has aroused great interest in practical applications. The present work investigates a general model (without external magnetic field) for the frustration-induced anti-topological bilayer magnetic textures with rich morphologies, and discusses the modulations of key parameters on the energy barrier and the current-driven dynamics. It is revealed that the interlayer coupling plays a key role in preventing distortion, and thus helps to reach a faster velocity. This model can be realized in various frustrated magnetic materials with antiferromagnetically coupled bilayer, providing a helpful guidance for the material design and application of topological magnetic textures.

cond-mat.mes-hall↗

arXiv2026

Magnetoelectric torque in polar magnetic bilayers

Energy-efficient fast switching of spin orientations or textures is a core issue of spintronics, which is highly demanded but remains challenging. Different from the mainstream routes based on spin-transfer torque or spin-orbit torque, here we propose another mechanism coined as magnetoelectric torque to switch the magnetization in polar magnetic bilayers via pure electric field. In some magnetic van der Waals bilayers, when the electrostatic energy of polarization can compensate the interlayer magnetic coupling, a magnetoelectric torque is generated to fastly flip spins within a few picoseconds, which is demonstrated by combining the first-principles calculations, analytic model, as well as atomistic simulations. Such a magnetoelectric torque doesn't rely on the spin-orbit coupling and is generally active in polar magnetic homostructures and heterostructures. Our work provides an alternative route to switch magnetization in nanoscale, which may benefit the energy-saving and fast-response spintronic devices.

cond-mat.mtrl-sci↗

arXiv2025

Crescent domain-wall pairs in anisotropic two-dimensional MnOI monolayer with fast dynamics

The controllable and efficient manipulation is always a key challenge for the application of topological magnetic textures in spintronic devices. By first-principles calculations and atomistic simulations, the present work reveals an exotic domain-wall pair in crescent shape, which possesses topology in one dimension and particle-like robustness in two dimensions. Its antiferromagnetic version is observed in the two-dimensional MnOI monolayer with a strong anisotropy, and the ferromagnetic version exists under an appropriate strain. Both of them can be driven efficiently by current to move in a straight line along a certain direction. Hereby, another possible path is provided to realize the application of topological magnetic texture in the next-generation high-speed spintronic devices.

cond-mat.mtrl-sci↗

arXiv2024

Magnetoelectric imprint of skyrmions in van der Waals bilayers

To effectively track and manipulate topological solitons (e.g. skyrmions) are the key challenge before their applications. Inspired by the idea of sliding ferroelectricity, here a general strategy is proposed to print magnetic skyrmions to electric skyrmions in van der Waals bilayers. Through the proximate interactions, there is an isoperiodic bijection relationship between local dipoles and spin moments. This magnetoelectric imprint effect not only extends the strategies to create electric skyrmions, but also leads to an approach for all-electrical readout/manipulation of magnetic skyrmions.

cond-mat.mtrl-sci↗

arXiv2024

Two-dimensional 5d multiferroic W3Cl8: breathing Kagome lattice and tunable magneto-optical Kerr effect

Owing to the strong spin-orbit coupling and the related fascinating physical properties, heavy 5d transition-metals exhibit desirable application prospects. However, up to now, the 5d magnetic materials are still very limited, especially very rare for tungsten. In this work, we theoretically predict a two-dimensional multiferroic W3Cl8 monolayer. Intrinsic 5d magnetism of tungsten is activated by the W ions' fractional valence in a breathing Kagome lattice of reduced effective dimension. A coplanar Y-type antiferromagnetism composed by ferromagnetic W3 trimers is confirmed as the magnetic ground state. The spontaneous ferroelectric polarization mainly originates from the ion displacement induced by the breathing distortion of Kagome lattice. An intrinsic magneto-optical Kerr effect with sizable Kerr angle can be observed to detect this trimeric Y-type antiferromagnetism, and it depends strongly on the detailed magnetic order. Thereby, we propose a general scheme for realizing more 5d magnetism in two-dimensional multiferroic systems.

cond-mat.mes-hall↗

arXiv2023

Manipulation of magnetic topological textures via perpendicular strain and polarization in van der Waals magnetoelectric heterostructure

Multi-functional manipulation of magnetic topological textures such as skyrmions and bimerons in energy-efficient ways is of great importance for spintronic applications, but still being a big challenge. Here, by first-principles calculations and atomistic simulations, the creation and annihilation of skyrmions/bimerons, as key operations for the reading and writing of information in spintronic devices, are achieved in van der Waals magnetoelectric CrISe/In2Se3 heterostructure via perpendicular strain or electric field without external magnetic field. Besides, the bimeron-skyrmion conversion, size modulation and the reversible magnetization switching from in-plane to out-of-plane could also be realized in magnetic-field-free ways. Moreover, the topological charge and morphology can be precisely controlled by a small magnetic field. The strong Dzyaloshinskii-Moriya interaction and tunable magnetic anisotropy energy in a wide window are found to play vital roles in such energy efficient multi-functional manipulation, and the underlying physical mechanisms are elucidated. Our work predicts the CrISe/In2Se3 heterostructure being an ideal platform to address this challenge in spintronic applications, and theoretically guides the low-dissipation multi-functional manipulation of magnetic topological textures.

cond-mat.mtrl-sci↗

arXiv2023

Frustration-induced magnetic bimerons in transition metal halide CoX2 (X = Cl, Br) monolayers

With the field of two-dimensional (2D) magnetic materials expanding rapidly, noncollinear topological magnetic textures in 2D materials are attracting growing interest recently. As the in-plane counterpart of magnetic skyrmions, magnetic bimerons have the same topological advantages, but are rarely observed in experiments. Employing first-principles calculations and Monte Carlo simulations, we predict that the centrosymmetric transition metal halide CoX2 (X = Cl, Br) monolayers can be promising candidates for observing the frustration-induced bimerons. These bimerons crystallize into stable triangular lattice under an appropriate magnetic field. Compared to the skyrmions driven by the Dzyaloshinskii-Moriya interaction or the long-ranged magnetic dipole-dipole interactions, these frustration-induced bimerons have much smaller size and flexible tunability. Furthermore, the biaxial strain provides an effective method to tune the frustration and thereby to tune the bimeron lattice. In detail, for CoCl2 monolayer, tensile strain can be applied to generate bimeron lattice, further shrink bimeron size and increase the density of bimerons. For CoBr2 monolayer with inherent bimeron lattice state, a unique orientation rotation of bimeron lattice controlled by compressive strain is predicted.

cond-mat.mtrl-sci↗

arXiv2023

Modulation of skyrmionic magnetic textures in two-dimensional vdW materials and their heterostructures

The intrinsic magnetism observed in two-dimensional (2D) van der Waals (vdW) materials provides a unique opportunity for exploring the 2D topological magnetic textures, in particular skyrmionic magnetic textures (SMTs) including skyrmion and its topological equivalents. Since the experimental discovery of skyrmions in the 2D vdW materials and their heterostructures, a critical challenge lies in the control of these SMTs to translate their intriguing features into spintronic applications. Here, we review the recent experimental and theoretical progresses on the modulations of SMTs in 2D vdW monolayer materials and their heterostructures. Besides well-established basic modulation factors including temperature, magnetic field and sample thickness, we present the experimental realization of mobility and transition driven by electric current, and the theoretical prediction of diverse magnetoelectric modulations by electric field. Considering the 2D character of vdW layered materials, strain and stacking style are also efficient approaches to tune the magnetic textures.

cond-mat.mes-hall↗

arXiv2022

Gadolinium halide monolayers: a fertile family of two-dimensional 4f magnets

Two-dimensional (2D) magnets have great potentials for applications in next-generation information devices. Since the recent experimental discovery of intrinsic 2D magnetism in monolayer CrI$_3$ and few-layer Cr$_2$Ge$_2$Te$_6$, intensive studies have been stimulated in pursuing more 2D magnets and revealing their intriguing physical properties. In comparison to the magnetism based on $3d$ electrons, $4f$ electrons can provide larger magnetic moments and stronger spin-orbit coupling, but have been much less studied in the 2D forms. Only in very recent years, some exciting results have been obtained in this area. In this mini-review, we will introduce some recent progress in 2D Gd halides from a theoretical aspect. It is noteworthy that $4f$ and $5d$ orbitals of Gd both play key roles in these materials. For Gd$X_2$ ($X$=I, Br, Cl and F) monolayers and related Janus monolayers, robust ferromagnetism with large exchanges comes from the $4f^7$+$5d^1$ hybridization of Gd$^{2+}$. The spatially expanded $5d$ electrons act as a bridge to couple localized $4f$ spins. For Gd$X_3$ monolayers, the intercalation of metal atoms can dope electrons into Gd's $5d$ orbitals, which leads to numerous intriguing physical properties, such as ferroelasticity, ferromagnetism, and anisotropic conductance. In brief, Gd halides establish an effective strategy to take advantage of $f$-electron magnetism in 2D materials.

cond-mat.mtrl-sci↗

arXiv2022

Structural reconstruction and anisotropic conductance in $4f$-ferromagnetic monolayer

Two-dimensional magnets are promising for nanoscale spintronic applications. Currently, most available candidates are based on $3d$ transition metal compounds, with hexagonal or honeycomb lattice geometry. Here, a GdCl$_3$ monolayer with $4f$ moments is theoretically studied, which can be exfoliated from its existing bulk. Its orthorhombic structure and hendecahedral ion cages are unique in two-dimensional. Furthermore, a significant structural reconstruction is caused by the implantation of Li atoms into its interstitial position, which also lead to ferromagnetism via a double-exchange-like process. Its highly anisotropic conductance may be peculiarly useful for nanoelectronics.

cond-mat.mtrl-sci↗

arXiv2022

Vector vorticity of skyrmionic texture: an internal degree of freedom tunable by magnetic field

Different from the skyrmion driven by the Dzyaloshinskii-Moriya interaction in non-centrosymmetric materials, the skyrmionic texture in centrosymmetric magnet may possess the extra internal degrees of freedom, which greatly enrich its morphologies, imply the continuous deformation allowed by topological protection, and enable flexible tunability and potential functionality. To describe the internal degree of freedom to full extent, the conventional integer-valued scalar vorticity is extended into a vector vorticity with continuous rotation allowed. The further simplified vorticity angle, together with helicity angle, represents the whole rotation freedom of spin space. The centrosymmetric magnet with frustration provides a perfect platform for realizing a controllable manipulation on these internal degrees of freedom, where the magnetic field can be applied to tune vorticity continuously in both crystal and isolated forms of skyrmionic texture, and the helicity can be further controlled by electric field. Moreover, the simulation reveals the distinctive dynamic effects related to the vorticity modulation, namely, a straight motion can be generated by rotating magnetic field to tune vorticity, and the vorticity can also be controlled to modulate the dynamics induced by the spin polarized current.

cond-mat.mtrl-sci↗

arXiv2021

Phase competition and negative piezoelectricity in interlayer-sliding ferroelectric ZrI$_2$

The so-called interlayer-sliding ferroelectricity was recently proposed as an unconventional route to pursuit electric polarity in van der Waals multi-layers, which was already experimentally confirmed in WTe$_2$ bilayer even though it is metallic. Very recently, another van der Waals system, i.e., the ZrI$_2$ bilayer, was predicted to exhibit the interlayer-sliding ferroelectricity with both in-plane and out-of-plane polarizations [Phys. Rev. B \textbf{103}, 165420 (2021)]. Here the ZrI$_2$ bulk is studied, which owns two competitive phases ($α$ \textit{vs} $β$), both of which are derived from the common parent $s$-phase. The $β$-ZrI$_2$ owns a considerable out-of-plane polarization ($0.39$ $μ$C/cm$^2$), while its in-plane component is fully compensated. Their proximate energies provide the opportunity to tune the ground state phase by moderate hydrostatic pressure and uniaxial strain. Furthermore, the negative longitudinal piezoelectricity in $β$-ZrI$_2$ is dominantly contributed by the enhanced dipole of ZrI$_2$ layers as a unique characteristic of interlayer-sliding ferroelectricity, which is different from many other layered ferroelectrics with negative longitudinal piezoelectricity like CuInP$_2$S$_6$.

cond-mat.mtrl-sci↗

arXiv2021

Noncollinear topological textures in two-dimensional van der Waals materials: From magnetic to polar systems

In recent years, noncollinear topological textures have long gained increasing research attentions for their high values of both fundamental researches and potential applications. The recent discovery of intrinsic orders in magnetic and polar two-dimensional van der Waals materials provides a new ideal platform for the investigation of noncollinear topological textures. Here, we review the theoretical and experimental progresses on noncollinear topological textures in two-dimensional van der Waals materials in very recent years. During these years, magnetic skyrmions of both Bloch and Néel types have been observed experimentally in a few two-dimensional van der Waals materials and related heterostructures. Concurrently, more theoretic predictions basing on various mechanisms have been reported about different noncollinear topological textures in two-dimensional van der Waals materials, such as skyrmions, bimerons, anti-biskyrmions and skyrmionium, which are still waiting to be confirmed in experiments. Besides, noncollinear topological electric dipole orders have also been predicted in two-dimensional van der Waals materials. Taking advantage of the intrinsic two-dimensional nature and high integratability, the two-dimensional van der Waals materials will play an important role in the investigation on noncollinear topological textures in both magnetic and polar systems.

cond-mat.mtrl-sci↗

arXiv2020

Controlling the helicity of magnetic skyrmions by electrical field in frustrated magnets

The skyrmions generated by frustration in centrosymmetric structures host extra internal degrees of freedom: vorticity and helicity, resulting in distinctive properties and potential functionality, which are not shared by the skyrmions stemming from the Dzyaloshinskii-Moriya interaction in noncentrosymmetric structures. The present work indicates that the magnetism-driven electric polarization carried by skyrmions provides a direct handle for tuning helicity. Especially for the in-plane magnetized skyrmions, the helicity can be continuously rotated and exactly picked by applying an external electric field for both skyrmions and antiskyrmions. The in-plane uniaxial anisotropy is beneficial to this manipulation.

cond-mat.mtrl-sci↗

arXiv2018

Stabilization and modulation of the topological magnetic phase with a $Z_2$-vortex lattice in the Kitaev-Heisenberg honeycomb model: The key role of the third-nearest-neighbor interaction

The topologically nontrivial magnetic phase with a $Z_2$-vortex (Z$_2$V) lattice is investigated by simulation in the Kitaev-Heisenberg honeycomb model expanded by considering the second- and third-nearest-neighbor Heisenberg interactions ($J_{H2}$ and $J_{H3}$). On the parameter region of the Z$_2$V phase, a gradual modulation of vortex density is observed, together with a transition from single-Z$_2$V to triple-Z$_2$V state driven by the variation of frustration. Additionally, $Z_2$ vortices are arranged in different manners on the whole honeycomb structure for these two types of Z$_2$V states. Moreover, topologically equivalent states are revealed to exist in single-Z$_2$V dominant and triple-Z$_2$V dominant styles on different parameter points, which can be controlled to switch between each other without energy consumption. It is worth noting that $J_{H3}$ plays a key role in expanding the Z$_2$V phase, and also in stabilizing the single-Z$_2$V state.

cond-mat.str-el↗

arXiv2016

Block antiferromagnetism and possible ferroelectricity in KFe$_2$Se$_2$

Superconductors and multiferroics are two of the hottest branches in condensed matter physics. The connections between those two fields are fundamentally meaningful to unify the physical rules of correlated electrons. Recently, BaFe$_2$Se$_3$, was predicted to be multiferroic [Phys. Rev. Lett. 113, 187204 (2014)] due to its unique one-dimensional block-type antiferromagnetism. Here, another iron-selenide KFe$_2$Se$_2$, a parent state of iron-based superconductor, is predicted to be multiferroic. Its two-dimensional block-type antiferromagnetism can generate a moderate electric dipole for each Fe-Se layer via the Fe-Se-Fe exchange striction. Different stacking configurations of these magnetic blocks give closely proximate energies and thus the ground state of KFe$_2$Se$_2$ may be switchable between antiferroelectric and ferroelectric phases.

cond-mat.mtrl-sci↗

arXiv2015

Orientation-dependent ferroelectricity of strained PbTiO$_3$ films

PbTiO$_3$ is a simple but very important ferroelectric oxide that has been extensively studied and widely used in various technological applications. However, most previous studies and applications were based on the bulk material or the conventional [$001$]-orientated films. There are few studies on PbTiO$_3$ films grown along other crystalline axes. In this study, a first-principles calculation was performed to compute the polarization of PbTiO$_3$ films strained by SrTiO$_3$ and LaAlO$_3$ substrates. Our results show that the polarization of PbTiO$_3$ films strongly depends on the growth orientation as well as the monoclinic angles. Further, it is suggested that the ferroelectricity of PbTiO$_3$ mainly depends on the tetragonality of the lattice, instead of the simple strain.

cond-mat.mtrl-sci↗

arXiv2015

Charge transfer and hybrid ferroelectricity in (YFeO$_{3}$)$_{n}$/(YTiO$_{3}$)$_{n}$ magnetic superlattices

Interfaces in oxide heterostructures always provide a fertile ground for emergent properties. Charge transfer from a high energy band to a low energy opponent is naturally expected, as occurring in semiconductor $p$-$n$ junctions. In this study, several exceptional physical phenomena have been predicted in (YFeO$_3$)$_n$/(YTiO$_3$)$_n$ superlattices. First, the charge transfer between these Mott insulators is in opposite to the intuitive band alignment scenario. Second, hybrid ferroelectricity with a moderate polarization is generated in the $n=2$ magnetic superlattice. Furthermore, the ferroelectric-type distortion can persist even if the ($AB$O$_3$)$_2$/($AB$'O$_3$)$_2$ system turns to be metallic, rending possible metallic ferroelectricity.

cond-mat.str-el↗