2022年9月7日 · Using first-principles calculations, we investigated the magnetic and optical properties of monolayer 2H VSe 2 and VSSe. We obtained a direct band gap of 1.04 eV in pristine 2H VSe 2 and 1.05 eV for the Janus VSSe layer. Both systems displayed a …

2022年12月7日 · Vanadium diselenide (VSe 2) exhibits versatile electronic and magnetic properties in the trigonal prismatic (H-) and octahedral (T-) phases. Compared to the metallic T-phase, the H-phase with a tunable semiconductor property is predicted to be a ferrovalley material with spontaneous valley polarization.

2024年2月21日 · In this study, we investigate the influence of hole doping on 2H VSe 2 films by varying their thickness from bilayer to four-layer configurations. The pristine 2H VSe 2 film exhibits layer-to-layer antiferromagnetic (AFM) state, but through hole carrier doping, we successfully switch this state to a ferromagnetic (FM) configuration. Notably ...

2021年9月28日 · Here we report a 2D ferromagnetic semiconductor at room temperature, 2H -phase vanadium diselenide (VSe 2), which shows ferromagnetic at the 2D form only. This 2D ferromagnetic semiconductor manifests an enhanced magnetic ordering owing to structural anisotropy at the 2D limit.

2018年2月19日 · Contrary to these observations, we report the emergence of strong ferromagnetic ordering for monolayer VSe 2, a material that is paramagnetic in the bulk 11, 12. Importantly, the ferromagnetic...

2020年4月29日 · In this paper, we report a structural phase transition of multilayer VSe 2 from 1T to 2H through annealing at 650 K, accompanying a metal–insulator transition. We observe that the 2H-phase is more thermodynamically favorable than the 1T-phase at 2D.

2024年2月14日 · 二维（2D）层状材料中层间磁性和磁性拓扑结构的滑动和操纵最近受到了极大的关注。 在这项工作中，我们利用第一性原理计算，报告了通过使用 2H-VSe2 双层中的面内双轴应变操纵层间距离而引起的结构相变。 这种结构相变伴随着半导体到金属的转变、面内到面外的磁化强度转换以及 Dzyaloshinskii-Moriya 相互作用 (DMI) 手性的反转。 层间 Se2-Se3 原子的结合强度和电荷密度差可以作为这种结构相变的指标。 此外，Se2-Se3原子的层间距离可以作为一个描 …

2016年12月16日 · Combining a two-band k·p model with first-principles calculations, we show that 2H-VSe2 monolayer, where the spin–orbit coupling coexists with the intrinsic exchange interaction of transition ...

2024年2月14日 · In this work, using first-principles calculations, we report a structural phase transition induced by manipulating the interlayer distance using an in-plane biaxial strain in a 2H-VSe 2 bilayer. This structural phase transition is accompanied by a semiconductor-to-metal transition, in-plane-to-out-of-plane magnetization switching, and a ...

2023年3月1日 · In summary, we investigated the thickness dependent magnetic and optical properties of 2H VSe 2 film. The 2H VSe 2 had a semiconducting band structure at least up to four-layer thickness, and the band gap showed decreasing tendency with increasing film thickness. For instance, without SOC, the monolayer had a …