相关论文: Atomic scale electronic structure of the ferromagn…
When monolayers of two-dimensional (2D) materials are stacked into van der Waals structures, interlayer electronic coupling can introduce entirely new properties, as exemplified by recent discoveries of moir\'e bands that host highly…
We have studied the atomic and magnetic structure of the dilute ferromagnetic semiconductor system (Ba,K)(Zn,Mn)$_2$As$_2$ through atomic and magnetic pair distribution function analysis of temperature-dependent x-ray and neutron total…
Magnetic tunnel junctions (MTJs) have been widely applied in spintronic devices for efficient spin detection through the imbalance of spin polarization at the Fermi level. The van der Waals (vdW) nature of two-dimensional (2D) magnets with…
Rutile CrO2 is the most important half-metallic material with nearly 100% spin polarization at the Fermi level, and rutile TiO2 is a wide-gap semiconductor with many applications. Here we show through first-principles investigation that a…
By density functional theory calculations, we predict a stable two-dimensional (2D) ferromagnetic semiconductor Cr$_2$Ge$_2$Se$_6$, where the Curie temperature $T$$_c$ can be dramatically enhanced beyond room temperature by applying a few…
Rapid progress in valleytronics and spintronics is limited by the scarcity of two-dimensional materials that simultaneously provide robust valley splitting and strong spin selectivity. Here we showed that a van der Waals heterostructure…
Two-dimensional (2D) ferroelectric (FE) materials offer a large variety of electronic properties depending on chemical composition, number of layers and stacking-order. Among them, alpha-In2Se3 has attracted much attention due to the…
Two dimensional magnetic materials are at the forefront of the next generation of spintronic devices. The possibility to interface them with other van der Waals materials such as transition metal dichalcogenides has opened new possibilities…
We study the properties of ThCr$_2$Si$_2$ structure BaMn$_2$As$_2$ and BaMn$_2$Sb$_2$ using density functional calculations of the electronic and magnetic as well experimental measurements on single crystal samples of BaMn$_2$As$_2$. These…
The ferromagnetic semiconductor Ba2NiOsO6 (Tmag ~100 K) was synthesized at 6 GPa and 1500 {\deg}C. It crystallizes into a double perovskite structure [Fm-3m; a = 8.0428(1) {\AA}], where the Ni2+ and Os6+ ions are perfectly ordered at the…
By the first-principles electronic structure calculations, we find that the ground state of ternary iron selenides AFe$_2$Se$_2$ (A=K, Cs, or Tl) is in a bi-collinear antiferromagnetic order, in which the Fe local moments ($\sim2.8\mu_B$)…
The recent discovery of ferromagnetism in two-dimensional (2D) van der Waals (vdW) materials holds promises for novel spintronic devices with exceptional performances. However, in order to utilize 2D vdW magnets for building spintronic…
Interlayer stacking order has recently emerged as a unique degree of freedom to control crystal symmetry and physical properties in two-dimensional van der Waals (vdW) materials and heterostructures. By tuning the layer stacking pattern,…
An accurate density-functional method is used to study systematically half-metallic ferromagnetism and stability of zincblende phases of 3d-transition-metal chalcogenides. The zincblende CrTe, CrSe, and VTe phases are found to be excellent…
The combination of metallicity and ferroelectricity breaks traditional boundaries, paving new avenues for innovative electronic materials and devices. This breakthrough is particularly notable, as metallicity and ferroelectricity have…
Electronic structure of layered van der Waals ferromagnet CrI$_{3}$ is studied with self consistent diagrammatic approaches beyond GW approximation. Considerable improvement in the calculated band gap as compared to the non-self-consistent…
Currently, there is a flurry of research interest on materials with an unconventional electronic structure, and we have already seen significant progress in their understanding and engineering towards real-life applications. The interest…
The discovery of two-dimensional van der Waals (vdW) magnetic materials has propelled advancements in technological devices. The Nernst effect, which generates a transverse electric voltage in the presence of a longitudinal thermal…
We have analysed the unusual electronic structure of Sr_2FeMoO_6 combining ab-initio and model Hamiltonian approaches. Our results indicate that there are strong enhancements of the intraatomic exchange strength at the Mo site as well as…
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…