Controlling Rashba spin orbit coupling in polar two-dimensional transition metal dichalcogenide

Monolayer transition metal dichalcogenide (TMD) group of materials MXY (M=Mo, W, X(not equal to)Y=S, Se, Te) are two-dimensional polar semiconductors with Rashba spin orbit coupling (SOC). Setting WSeTe as an example and using density functional theory calculations, we investigate the influence of biaxial strain and electric field on Rashba SOC in MXY monolayer. The orbital analysis reveals that Rashba spin splitting around Gamma point occurs mainly through the SOC matrix elements between the W-dz2 and -dxz/yz orbitals, and those between the Se-pz and -px/y orbitals. We find the change of local electric field between Se and W atoms arising from the mirror symmetry breaking plays the critical role in forming the large Rashba SOC, and through a relatively small compressive/tensile strain (from -2% to 2%), a large tunability of Rashba SOC can be obtained due to the modified W-Se bonding interaction. In addition, we also explore the influence of electric field on Rashba SOC in WSeTe, which can impact the charge density distribution of the Se and Te atoms, and slightly influence Rashba SOC. The coexistence of large Rashba spin splitting and valley spin splitting in MXY brings rich spin-related phenomena, which may make a special contribution to semiconductor spintronics and valleytronics.