论文标题
janus mogesip2as2和wgesip2as2单层中的Rashba分裂和自旋Valley属性的出现
Emergence of Rashba splitting and spin-valley properties in Janus MoGeSiP2As2 and WGeSiP2As2 monolayers
论文作者
论文摘要
进行第一原理计算以研究Janus Mogesip2as2和Wgesip2AS2单层的结构稳定性和旋转特性。高粘性能和稳定的声子模式证实，这两个结构在实验上都是可以访问的。与原始的MOSI2P4相反，Janus单层显示了k/-k处的直接带盖和大型自旋式状态。此外，它们的旋转纹理暴露出来，打破镜子对称性会在系统中带来Rashba型自旋分裂，可以通过使用较高的原子自旋轨道耦合来增加。在这些Janus单层结构中，大型山谷旋转分裂以及Rashba分裂可以为半导体谷化和旋转型制剂做出显着贡献。
First-principles calculations are performed to study the structural stability and spintronics properties of Janus MoGeSiP2As2 and WGeSiP2As2 monolayers. The high cohesive energies and the stable phonon modes confirm that both these structures are experimentally accessible. In contrast to pristine MoSi2P4, the Janus monolayers demonstrate reduced direct bandgaps and large spin-split states at K/-K. In addition, their spin textures exposed that breaking the mirror symmetry brings Rashba-type spin splitting in the systems which can be increased by using higher atomic spin-orbit coupling. The large valley spin splitting together with the Rashba splitting in these Janus monolayer structures can make a remarkable contribution to semiconductor valleytronics and spintronics.
