Emergence of Rashba splitting and spin-valley properties in Janus MoGeSiP2As2 and WGeSiP2As2 monolayers

• DOI: 10.1016/j.jmmm.2022.169897
• Publication Date: 2022-09-10T02:03:39Z
• Authors: Ghulam Hussain; Abdus Samad; Majeed Ur Rehman; Giuseppe Cuono; Carmine Autieri
• Keywords: Condensed Matter - Materials Science; Materials Science (cond-mat.mtrl-sci); FOS: Physical sciences; Physics - Applied Physics; 02 engineering and technology; Applied Physics (physics.app-ph); 01 natural sciences; Spin-valley; 0103 physical sciences; Density functional theory; 0210 nano-technology; Rashba

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.