Search

The topological Hall effect (THE) is critical to the exploration of the spin chirality generated by the real-space Berry curvature, which has attracted worldwide attention for its prospective applications in spintronic devices. However, the prominent THE remains elusive at room temperature, which severely restricts the practical integration of chiral spin textures. Here, we show a colossal intrinsic THE in large-area ferromagnet Cr5Te6 thin films epitaxially grown by pulsed laser deposition. Such a THE can be maintained until 270 K, which is attributed to the field-stimulated noncoplanar spin textures induced by the interaction of the in-plane ferromagnet and antiferromagnet infrastructures. Our first-principles calculations further verify the considerable Dzyaloshinskii-Moriya interaction in Cr5Te6. This work not only paves the way for robust chiral spin textures near room temperature in large-area low-dimensional ferromagnetic films for practical applications, but also facilitates the development of high-density and dissipationless spintronic devices., Comment: 18 pages, 13 figures, 1 table

The Dzyaloshinskii-Moriya interaction (DMI) that arises in the magnetic systems with broken inversion symmetry plays an essential role in topological spintronics. Here, by means of atomistic spin calculations, we study an intriguing type of DMI (g-DMI) that emerges in the films with composition gradient. We show that both the strength and chirality of g-DMI can be controlled by the composition gradient even in the disordered system. The layer-resolved analysis of g-DMI unveils its additive nature inside the bulk layers and clarifies the linear thickness dependence of g-DMI observed in experiments. Furthermore, we demonstrate the g-DMI induced chiral magnetic structures, such as spin spirals and skyrmions, and the g-DMI driven field-free spin-orbit torque (SOT) switching, both of which are crucial towards practical device application. These results elucidate the underlying mechanisms of g-DMI and open up a new way to engineer the topological magnetic textures., Comment: in production in Nano Letters

We report the interplay between two different topological phases in condensed matter physics, the magnetic chiral domain wall (DW), and the quantum anomalous Hall (QAH) effect. We show that the chiral DW driven by Dzyaloshinskii-Moriya interaction (DMI) can divide the uniform domain into several zones where the neighboring zone possesses opposite quantized Hall conductance. The separated domain with a chiral edge state (CES) can be continuously modified by external magnetic field-induced domain expansion and thermal fluctuation, which gives rise to the reconfigurable QAH effect. More interestingly, we show that the position of CES can be tuned by spin current-driven chiral DW motion. Several two-dimensional magnets with high Curie temperatures and large topological band gaps are proposed for realizing these phenomena. Our work thus reveals the possibility of chiral DW controllable QAH effects.

Realizing sizeable Dzyaloshinskii-Moriya interaction (DMI) in intrinsic two-dimensional (2D) magnets without any manipulation will greatly enrich potential application of spintronics devices. The simplest and most desirable situation should be 2D magnets with intrinsic DMI and intrinsic chiral spin textures. Here, we propose to realize DMI by designing periodic ripple structures with different curvatures in low-dimensional magnets and demonstrate the concept in both one-dimensional (1D) CrBr2 and two-dimensional (2D) MnSe2 magnets by using first-principles calculations. We find that DMIs in curved CrBr2 and MnSe2 can be efficiently controlled by varying the size of curvature c, where c is defined as the ratio between the height h and the length l of curved structure. Moreover, we unveil that the dependence of first-principles calculated DMI on size of curvature c can be well described by the three-site Fert-L\'evy model. At last, we uncover that field-free magnetic skyrmions can be realized in curved MnSe2 by using atomistic spin model simulations based on first-principles calculated magnetic parameters. The work will open a new avenue for inducing DMI and chiral spin textures in simple 2D magnets via curvature., Comment: Published on Physical Review B 106, 054426

Realizing effective manipulation and explicit identification of topological spin textures are two crucial ingredients to make them as information carrier in spintronic devices with high storage density, high data handling speed and low energy consumption. Electric-field manipulation of magnetism has been achieved as a dissipationless method compared with traditional regulations. However, the magnetization is normally insensitive to the electric field since it does not break time-reversal symmetry directly, and distribution of topological magnetic quasiparticles is difficult to maintain due to the drift arising from external fluctuation, which could result in ambiguous recognition between quasiparticles and uniform magnetic background. Here, we demonstrate that electric polarization-driven skyrmionic and uniform ferromagnetic states can be easily and explicitly distinguished by transverse voltage arising from anomalous valley Hall effect in the Janus magnet-based multiferroic heterostructure LaClBr/In2Se3. Our work provides an alternative approach for data encoding, in which data are encoded by combing topological spin textures with detectable electronic transport., Comment: published in 2D materials, 9, 045030 (2022)

Magnetic skyrmions, topologically protected chiral spin swirling quasiparticles, have attracted great attention in fundamental physics and applications. Recently, the discovery of two-dimensional (2D) van der Waals (vdW) magnets has aroused great interest due to their appealing physical properties. Moreover, both experimental and theoretical works have revealed that isotropic Dzyaloshinskii Moriya interaction (DMI) can be achieved in 2D magnets or ferromagnet-based heterostructures. However, 2D magnets with anisotropic DMI haven't been reported yet. Here, via using first-principles calculations, we unveil that anisotropic DMI protected by D2d crystal symmetry can exist in 2D ternary compounds MCuX2. Interestingly, by using micromagnetic simulations, we demonstrate that ferromagnetic (FM) antiskyrmions, FM bimerons, antiferromagnetic (AFM) antiskyrmions and AFM bimerons can be realized in MCuX2 family. Our discovery opens up an avenue to creating antiskyrmions and bimerons with anisotropic DMI protected by D2d crystal symmetry in 2D magnets., Comment: Main text and supplementary materials attached

As a fundamental magnetic parameter, Dzyaloshinskii-Moriya interaction (DMI), has gained a great deal of attention in the last two decades due to its critical role in formation of magnetic skyrmions. Recent discoveries of two-dimensional (2D) van der Waals (vdW) magnets has also gained a great deal of attention due to appealing physical properties, such as gate tunability, flexibility and miniaturization. Intensive studies have shown that isotropic DMI stabilizes ferromagnetic (FM) topological spin textures in 2D magnets or their corresponding heterostructures. However, the investigation of anisotropic DMI and antiferromagnetic (AFM) topological spin configurations remains elusive. Here, we propose and demonstrate that a family of 2D magnets with P4-m2 symmetry-protected anisotropic DMI. More interestingly, various topological spin configurations, including FM/AFM antiskyrmion and AFM vortex-antivortex pair, emerge in this family. These results give a general method to design anisotropic DMI and pave the way towards topological magnetism in 2D materials using crystal symmetry., Comment: 5 figures

Exploring novel two-dimensional multiferroic materials that can realize electric-field control of two-dimensional magnetism has become an emerging topic in spintronics. Using first-principles calculations, we demonstrate that non-metallic bilayer transition metal dichalcogenides (TMDs) can be an ideal platform for building multiferroics by intercalated magnetic atoms. Moreover, we unveil that with Co intercalated bilayer MoS2, Co(MoS2)2, two energetic degenerate states with opposite chirality of Dzyaloshinskii-Moriya interaction (DMI) are the ground states, indicating electric-field control of the chirality of topologic magnetism such as skyrmions can be realized in this type of materials by reversing the electric polarization. These findings pave the way for electric-field control of topological magnetism in two-dimensional multiferroics with intrinsic magnetoelectric coupling., Comment: To appear in Phys. Rev. B

A broken interfacial inversion symmetry in ultrathin ferromagnet/heavy metal (FM/HM) bilayers is generally believed to be a prerequisite for accommodating the Dzyaloshinskii-Moriya interaction (DMI) and for stabilizing chiral spin textures. In these bilayers, the strength of the DMI decays as the thickness of the FM layer increases and vanishes around a few nanometers. In the present study, through synthesizing relatively thick films of compositions CoPt or FePt, CoCu or FeCu, FeGd and FeNi, contributions to DMI from the composition gradient induced bulk magnetic asymmetry (BMA) and spin-orbit coupling (SOC) are systematically examined. Using Brillouin light scattering spectroscopy, both the sign and amplitude of DMI in films with controllable direction and strength of BMA, in the presence and absence of SOC are experimentally studied. In particular, we show that a sizable amplitude of DMI (0.15 mJ/m^2) can be realized in CoPt or FePt films with BMA and strong SOC, whereas negligible DMI strengths are observed in other thick films with BMA but without significant SOC. The pivotal roles of BMA and SOC are further examined based on the three-site Fert-Levy model and first-principles calculations. It is expected that our findings may help to further understand the origin of chiral magnetism and to design novel non-collinear spin textures., Comment: Physical Review Letters, in press

We report a significant Dzyaloshinskii-Moriya interaction (DMI) and perpendicular magnetic anisotropy (PMA) at interfaces comprising hexagonal boron nitride (h-BN) and Co. By comparing the behavior of these phenomena at graphene/Co and h-BN/Co interfaces, it is found that the DMI in latter increases as a function of Co thickness and beyond three monolayers stabilizes with one order of magnitude larger values compared to those at graphene/Co, where the DMI shows opposite decreasing behavior. At the same time, the PMA for both systems shows similar trends with larger values for graphene/Co and no significant variations for all thickness ranges of Co. Furthermore, using micromagnetic simulations we demonstrate that such significant DMI and PMA values remaining stable over large range of Co thickness give rise to formation of skyrmions with small applied external fields in the range of 200-250 mT up to 100 K temperatures. These findings open up further possibilities towards integrating two-dimensional (2D) materials in spin-orbitronics devices., Comment: 16 pages, 4 figures

Two dimensional (2D) ferromagnetic materials have attracted much attention in the fields of condensed matter physics and materials science, but their synthesis is still a challenge given their limitations on structural stability and susceptibility to oxidization. MAX phases nanolaminated ternary carbides or nitrides possess a unique crystal structure in which single-atom-thick A sublayers are interleaved by two dimensional MX slabs, providing nanostructured templates for designing 2D ferromagnetic materials if the non-magnetic A sublayers can be substituted replaced by magnetic elements. Here, we report three new ternary magnetic MAX phases (Ta2FeC, Ti2FeN and Nb2FeC) with A sublayers of single-atom-thick 2D iron through an isomorphous replacement reaction of MAX precursors (Ta2AlC, Ti2AlN and Nb2AlC) with a Lewis acid salts (FeCl2). All these MAX phases exhibit ferromagnetic (FM) behavior. The Curie temperature (Tc) of Ta2FeC and Nb2FeC MAX phase are 281 K and 291 K, respectively, i.e. close to room temperature. The saturation magnetization of these ternary magnetic MAX phases is almost two orders of magnitude higher than that of V2(Sn,Fe)C MAX phase whose A-site is partial substituted by Fe. Theoretical calculations on magnetic orderings of spin moments of Fe atoms in these nanolaminated magnetic MAX phases reveal that the magnetism can be mainly ascribed to intralayer exchange interaction of the 2D Fe atomic layers. Owning to the richness in composition of MAX phases, there is a large compositional space for constructing functional single-atom-thick 2D layers in materials using these nanolaminated templates.

Realizing topological magnetism and its electric control are intensive topics in the spintronics due to their promising applications in information storage and logic technologies. Here we unveil that both can be achieved in the two-dimensional (2D) magnetoelectric multiferroics. Using first-principles calculations, we show that strong Dzyaloshinskii-Moriya interaction (DMI), which is the key ingredient for the formation of exotic chiral magnetism, could be induced in 2D multiferroics with vertical electric polarization via Rashba effect. We verify that such significant DMI can promote sub-10 nm skyrmion in 2D multiferroics with perpendicular magnetic anisotropy such as CrN monolayer. In addition, the presence of both magnetization and electric polarization in 2D multiferroics provides us unique opportunity for the effective electric control of both strength and chirality of DMI and thereby the topological magnetism. As an example, we introduce the four multiferroic skyrmions with different chirality and polarity that can be manipulated by external field., Comment: 16 pages 5 figures

In this paper, we report an experimental observation of the large anomalous Hall effect (AHE) in a hexagonal ferromagnetic Fe5Sn3 single crystal with current along the b axis and a magnetic field normal to the bc plane. The intrinsic contribution of the anomalous Hall conductance sigma_AH^int was approximately 613 {\Omega}-1 cm-1, which was more than 3 times the maximum value in the frustrated kagome magnet Fe3Sn2 and nearly independent of the temperature over a wide range between 5 and 350 K. The analysis results revealed that the large AHE was dominated by a common, intrinsic term, while the extrinsic contribution, i.e., the skew scattering and side jump, turned out to be small. In addition to the large AHE, it was found the types of majority carriers changed at approximately 275 and 30 K, consistent with the critical temperatures of the spin reorientation. These findings suggest that the hexagonal ferromagnetic Fe5Sn3 single crystal is an excellent candidate to use for the study of the topological features in ferromagnets., Comment: accepted as a rapid communication in Phy. Rev. B

Using first-principles calculations, we investigate the impact of hydrogenation on the Dzyaloshinskii-Moriya interaction (DMI) at graphene/Co interface. We find that both the magnitude and chirality of DMI can be controlled via hydrogenation absorbed on graphene surface. Our analysis using density of states combined with first-order perturbation theory reveals that the spin splitting and the occupation of Co-d orbitals, especially the dxz and dz2 states, play a crucial role in defining the magnitude and the chirality of DMI. Moreover, we find that the DMI oscillates with a period of two atomic layers as a function of Co thickness what could be explained by analysis of out-of-plane of Co orbitals. Our work elucidates the underlying mechanisms of interfacial DMI origin and provides an alternative route of its control for spintronic applications.

Since the discovery of ferromagnetic two-dimensional (2D) van der Waals (vdW) crystals, significant interest on such 2D magnets has emerged, inspired by their appealing properties and integration with other 2D family for unique heterostructures. In known 2D magnets, spin-orbit coupling (SOC) stabilizes perpendicular magnetic anisotropy (PMA). Such a strong SOC could also lift the chiral degeneracy, leading to the formation of topological magnetic textures such as skyrmions through the Dzyaloshinskii-Moriya interaction (DMI). Here, we report the experimental observation of N\'eel-type chiral magnetic skyrmions and their lattice (SkX) formation in a vdW ferromagnet Fe3GeTe2 (FGT). We demonstrate the ability to drive individual skyrmion by short current pulses along a vdW heterostructure, FGT/h-BN, as highly required for any skyrmion-based spintronic device. Using first principle calculations supported by experiments, we unveil the origin of DMI being the interfaces with oxides, which then allows us to engineer vdW heterostructures for desired chiral states. Our finding opens the door to topological spin textures in the 2D vdW magnet and their potential device application., Comment: 26 pages, 5 figures

The Dzyaloshinskii-Moriya interaction (DMI), which only exists in noncentrosymmetric systems, is responsible for the formation of exotic chiral magnetic states. The absence of DMI in most two-dimensional (2D) magnetic materials is due to their intrinsic inversion symmetry. Here, using first-principles calculations, we demonstrate that significant DMI can be obtained in a series of Janus monolayers of manganese dichalcogenides MnXY in which the difference between X and Y on the opposites sides of Mn breaks the inversion symmetry. In particular, the DMI amplitudes of MnSeTe and MnSTe are comparable to those of state-of-the-art ferromagnet/heavy metal (FM/HM) heterostructures. In addition, by performing Monte Carlo simulations, we find that at low temperatures the ground states of the MnSeTe and MnSTe monolayers can transform from ferromagnetic states with worm-like magnetic domains into the skyrmion states by applying external magnetic field. At increasing temperature, the skyrmion states starts fluctuating above 50 K before an evolution to a completely disordered structure at higher temperature. The present results pave the way for new device concepts utilizing chiral magnetic structures in specially designed 2D ferromagnetic materials., Comment: 18 pages, 5 figures

Defects such as vacancies and impurities could have profound effects on the transport properties of thermoelectric materials. However, it is usually quite difficult to directly calculate the thermoelectric properties of defect-containing systems via first-principles method since very large supercell is required. In this work, based on the linear response theory and the kernel polynomial method, we present an efficient approach that can help to calculate the thermoelectric transport coefficients of a large system containing millions of atoms at arbitrary chemical potential and temperature. As a prototype example, we consider dilute vacancies and hydrogen impurities in a large scale {\gamma}-graphyne sheet and discuss their effects on the thermoelectric transport properties.

We combine first-principles calculations and Boltzmann transport theory to study the electrical transport properties of intermetallic compound YbAl3. To accurately predict the electronic relaxation time, we use the density functional perturbation theory and Wannier interpolation techniques which can effectively treat the electron-phonon scattering. Our calculated transport coefficients of YbAl3 are in reasonable agreement with the experimentally measured results. Strikingly, we discover that in evaluating the Seebeck coefficient of YbAl3, the scattering term has a larger contribution than the band term and should be explicitly considered in the calculations, especially for the case with localized bands near the Fermi level. Moreover, we demonstrate that by reducing the sample size to less than ~30 nm, the electronic thermal conductivity of YbAl3 can be sufficiently suppressed so that the thermoelectric figure of merit can be further enhanced.

Using first-principles calculations and Boltzmann theory, we explore the feasibility to maximize the thermoelectric figure of merit (ZT) of topological insulator Bi2Te3 films in the few-quintuple layer regime. We discover that the delicate competitions between the surface and bulk contributions, coupled with the overall quantum size effects, lead to a novel and generic non-monotonous dependence of ZT on the film thickness. In particular, when the system crosses into the topologically non-trivial regime upon increasing the film thickness, the much longer surface relaxation time associated with the robust nature of the topological surface states results in a maximal ZT value, which can be further optimized to ~2.0 under physically realistic conditions. We also reveal the appealing potential of bridging the long-standing ZT asymmetry of p- and n-type Bi2Te3 systems.

Using first-principles calculations, we systematically investigate the electronic structures and band topologies of four kinds of group-V elemental (P, As, Sb and Bi) monolayers with buckled honeycomb structure. It is found that all these monolayers can change from semiconducting to semimetallic under compressive strain. If a tensile strain is however applied, the P, As and Sb monolayers undergo phase transition from topologically trivial to non-trivial regime, whereas the topological insulating nature of Bi monolayer remains unchanged. With tunability of the band gaps and band topologies, it can be expected that these elemental monolayers could be promising candidates for future optoelectronic and spintronic applications.