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The layered transition metal dichalcogenide vanadium disulfide (VS$_2$), which nominally has one electron in the $3d$ shell, is potent for strong correlation physics and is possibly another realization of an effective one-band model beyond…
The quantum anomalous Hall state with a large band gap and a high Chern number is significant for practical applications in spintronics. By performing first-principles calculations, we investigate electronic properties of the fully…
Ferromagnetism in the two-dimensional materials is of great significance and has become an emerging topic. The ferromagnetic VS$_2$ and VSe$_2$ monolayers have been experimentally synthesized, and O element belongs to the same group as S…
We report structural, physical properties and electronic structure of van der Waals (vdW) crystal VI3. Detailed analysis reveals that VI3 exhibits a structural transition from monoclinic C2/m to rhombohedral R-3 at Ts ~ 79 K, similar to…
Recently, there has been a rapidly growing interest in two-dimensional (2D) transition metal chalcogenide monolayers (MLs) due to their unique magnetic and electronic properties. By using an evolutionary algorithm and first-principles…
Recently, two-dimensional layered electrides have emerged as a new class of materials which possess anionic electron layers in the interstitial spaces between cationic layers. Here, based on first-principles calculations, we discover a…
Trigonal tr-Cr$_{1+\delta}$Te$_{2}$ is a well-known ferromagnetic material that has recently drawn much attention due to the discovery of zero-field skyrmion state, unusual anomalous Hall effect, topological Hall effect, and topological…
This study investigates the spin-orbital states of FePS3 and FePSe3 monolayers and the origin of their Ising zigzag AFM, using DFT, crystal field level diagrams, superexchange analyses, and parallel tempering MC simulations. Our…
The discovery of archetypal two-dimensional (2D) materials provides enormous opportunities in both fundamental breakthroughs and device applications, as evident by the research booming in graphene, atomically thin transition-metal…
2D materials have intriguing quantum phenomena that are distinctively different from their bulk counterparts. Recently, epitaxially synthesized wafer-scale 2D metals, composed of elemental atoms, are attracting attention not only for their…
The crystallographic, magnetic, and transport properties of the van der Waals bonded, layered compound CrTe3 have been investigated on single crystal and polycrystalline materials. The crystal structure contains layers made up of lozenge…
Spin-valve effect has been the focus of spintronics over the last decades due to its potential in many spintronic devices. Two-dimensional (2D) van der Waals (vdW) materials are highly expected to build the spin-valve heterojunction.…
Monolayer transition metal dichalcogenides (TMDs) offer a novel two-dimensional platform for semiconductor devices. One such application, whereby the added low dimensional crystal physics (i.e. optical spin selection rules) may prove TMDs a…
Epitaxial FeRh(100) films (CsCl structure, $\sim 10\ ML\ $ thick), prepared {\it in-situ} on a W(100) single crystal substrate, have been investigated via valence band and core level photoemission. The presence of the temperature-induced,…
Controlling magnetism and electronic properties of two-dimensional (2D) materials by purely electrical means is crucial and highly sought for high-efficiency spintronics devices since electric field can be easily applied locally compared…
2D materials with nontrivial energy bands are highly desirable for exploring various topological phases of matter, as low dimensionality opens unprecedented opportunities for manipulating the quantum states. Here, it is reported that…
In this letter, we report the discovery of a new class of spintronic materials, namely spin semi-metals (SSM), employing both theoretical and experimental tools. The band structure of this class of materials is such that one of the spin…
Gaining growing attention in spintronics is a class of magnets displaying zero net magnetization and spin-split electronic bands called altermagnets. Here, by combining density functional theory and symmetry analysis, we show that RuF$_4$…
Two-dimensional (2D) Van der Waals ferromagnets carry the promise of ultimately miniature spintronics and information storage devices. Among the newly discovered 2D ferromagnets all inherit the magnetic ordering from their bulk ancestors.…
Two-dimensional van der Waals (vdW) ferromagnets drive the advancement in spintronic applications and enable the exploration of exotic magnetism in low-dimensional systems. The entanglement of dual $-$ localized and itinerant $-$ nature of…