论文标题
基于钒的Janus DiChalcogenide单层的结构，电子和磁性：第一原理研究
Structural, electronic, and magnetic properties of Vanadium-based Janus dichalcogenide monolayers: A first-principles study
论文作者
论文摘要
VSSE，VSETE，VSTE单层的结构，电子和磁性在2H和1T期都通过第一原理计算研究。在VSSE和VSETE中，2H相在能量上是有利的，而VSTE中的1T相较低。对于基于V的Janus单层，在2H阶段，磁各向异性的计算显示了磁矩的易于平面。因此，它们不应表现出铁磁相变，而是berezinskii-kosterlitz-thouless（BKT）过渡。一个具有最近邻邻耦合的经典XY模型估计关键温度（t $ _ {bkt} $），范围从VSSE的106 K到VSTE的46 K。
The structural, electronic, and magnetic properties of VSSe, VSeTe, VSTe monolayers in both 2H and 1T phases are investigated via first-principles calculations. The 2H phase is energetically favorable in VSSe and VSeTe, whereas the 1T phase is lower in energy in VSTe. For V-based Janus monolayers in the 2H phase, calculations of the magnetic anisotropy show an easy-plane for the magnetic moment. As such, they should not exhibit a ferromagnetic phase transition, but instead, a Berezinskii-Kosterlitz-Thouless (BKT) transition. A classical XY model with nearest-neighbor coupling estimates critical temperatures (T$_{BKT}$) ranging from 106 K for VSSe to 46 K for VSTe.
