Polarity tuning of spin-orbit-induced spin splitting in two-dimensional transition metal dichalcogenides semiconductors

Abstract

The established spin splitting in monolayer (ML) of transition metal dichalcogenides (TMDs) that is caused by inversion symmetry breaking is dictated by mirror symmetry operations to exhibit fully out-of-plane direction of spin polarization. Through first-principles density functional theory calculations, we show that polarity-induced mirror symmetry breaking leads to new sizable spin splitting having in-plane spin polarization. These splittings are effectively controlled by tuning the polarity using biaxial strain. Furthermore, the admixtures of the out-of-plane and in-plane spin-polarized states in the strained polar systems are identified, which is expected to influence the spin relaxation through the Dyakonov-Perel mechanism. Our study clarified that the polarity-induced mirror symmetry breaking plays an important role in controlling the spin splitting and spin relaxation in the TMDs ML, which is useful for designing future spintronic devices.