Tunable electronic, optical, and spintronic properties in InSe/MTe2 (M = Pd, Pt) van der Waals heterostructures

Constructing van der Waals (vdW) heterostructures is an effective approach to achieve more desirable properties. In the current study, the tunable electronic, optical, and spintronic properties of InSe/MTe2 (M = Pd, Pt) vdW heterostructures are investigated by using first principle calculations. We find that both InSe/PdTe2 and InSe/PtTe2 heterostructures are indirect band gap semiconductors with type-I band alignment, which are suitable for light emission applications. The external electric field and vertical strain can be employed to obtain the direct band gap and type-II band alignment in InSe/PtTe2 heterostructure, suggesting its tunable electronic properties. Moreover, the optical absorption strength of InSe/MTe2 heterostructure can reach 105, and visible light and ultraviolet light are main components in absorption spectrum. The Rashba spin splitting (RSS) can be seen in conduction band around the Γ point in InSe/MTe2, which is induced by the internal electric field with the direction from MTe2 to InSe layer. The external electric field can be utilized to control RSS strength. The results demonstrate that InSe/MTe2 can be employed in many aspects such as nanoscale optoelectronic and spintronic devices. •The electronic, optical, and spintronic properties of InSe/MTe2 (M = Pd, Pt) vdW heterostructures are investigated.•Both InSe/PdTe2 and InSe/PtTe2 heterostructures are indirect band gap semiconductors with type-I band alignment.•The external electric field and vertical strain can alter the band gap and band alignment in InSe/PtTe2 heterostructure.•The optical absorption strength of InSe/MTe2 heterostructure can reach 105.•The tunable Rashba spin splitting can be obtained in conduction band around the Γ point in InSe/MTe2.