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The search for two-dimensional materials with exotic valley-dependent properties has attracted rapid attention as they are fundamentally intriguing and practically appealing for nanoscale device applications. Here, using first-principles…
The quantum anomalous Hall (QAH) effect have been experimentally observed in magnetically-doped topological insulators. However, the QAH effect only at extremely low temperatures due to the weak magnetic coupling, small band gap and low…
The interplay between topology and valley degree of freedom has attracted much interest because it can realize new phenomena and applications. Here, based on first-principles calculations, we demonstrate intrinsically valley-polarized…
The valley degrees of freedom of carriers in crystals is useful to process information and perform logic operations, and it is a key factor for valley application to realize the valley polarization. Here, we propose a model that the valley…
A two-dimensional (2D) material system with both piezoelectricity and ferromagnetic (FM) order, referred to as a 2D piezoelectric ferromagnetism (PFM), may open up unprecedented opportunities for intriguing physics. Inspired by…
Low temperature scanning tunneling spectroscopy of HfNiSn shows a V^m(m < 1) zero bias anomaly around the Fermi level. This local density of states with a fractional power law shape is well known to be a consequence of electronic…
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…
We address the electronically induced anisotropy field acting on a spin moment comprised in a vibrating magnetic molecule located in the junction between ferromagnetic metals. Under weak coupling between the electrons and molecular…
Two-dimensional (2D) van der Waals (vdW) magnetic materials could be an ideal platform for ultracompact spintronic applications. Among them, FeCl$_{2}$ monolayer in the triangular lattice is subject to a strong debate. Thus, we critically…
We use an atomistic approach to study the electronic properties of monolayer and bilayer black phosphorus in the vicinity of a charged defect. In particular, we combine screened defect potentials obtained from first-principles linear…
In this study, we achieved the improvement of uniaxial perpendicular magnetic anisotropy (PMA) in the W/MgAl2O4/CoFeMnSi/W/CoFeMnSi/MgAl2O4/W heterostructure by manipulating the annealing temperature (TA) [350 C, 450 C, and 550 C]. We…
Perpendicular magnetic anisotropy (PMA) in ultrathin magnetic structures is a key ingredient for the development of electrically controlled spintronic devices. Due to their relatively large spin-polarization, high Curie temperature and low…
Electric Hall effects generated by an in-plane magnetic field have recently gained attention owing to their intrinsic origin in topological electronic states and potential application in magnetic field sensing. In pratice, the measured…
The electronic and magnetic bulk properties of half-metallic Heusler alloys such as Co$_{2}$FeSi, Co$_{2}$FeAl, Co$_{2}$MnSi and Co$_{2}$MnAl are investigated by means of {\em ab initio} calculations in combination with Monte Carlo…
The electronic band structures, density of states plots and magnetic moments of Fe$_{2 }$MnSi, Fe$_{2 }$MnAl, and Co$_{2 }$MnGe are studied by using the first principles calculations. The FM solutions using LSDA without \textit{U} show the…
First principles density functional theory based calculations have been carried out to predict the effects of Mn replacement by Fe and Cr on electronic as well as magnetic properties of Pt$_{2}$MnGa as well as Ni$_{2}$MnGa. All the…
We investigate topological features of electronic structures which produce large anomalous Hall effect in the non-collinear antiferromagnetic metallic states of anti-perovskite manganese nitrides by first-principles calculations. We first…
The topological properties of a material's electronic structure are encoded in its Berry curvature, a quantity which is intimately related to the transverse electrical conductivity. In transition metal dichalcogenides with broken inversion…
The interrelationship between a material's structure and its properties lies at the heart of materials-related research. Finding how the changes of one affect the other is of primary importance in theoretical and computational materials…
Half-metallic ferromagnets (HMF) are on one of the most promising materials in the field of spintronics due to their unique band structure consisting of one spin sub-band having metallic characteristics along with another sub-band with…