Large Rashba splitting, carrier mobility, and valley polarization in a 1T-SnS2/MoTe2 heterostructure. Issue 30 (26th July 2021)

• Record Type: Journal Article
• Authors: Teng, Sukai; Li, Jia; Mao, Xiujuan; He, Fuli; Liu, Ze; Wang, Jiaxi; Wang, Yafan
• Is Part Of: Physical chemistry chemical physics. Volume 23:Issue 30(2021)
• Page Start: 16242
• Page End: 16247
• Publication Date: 2021-07-26
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/d1cp02039k
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : The 1T-SnS2 /MoTe2 heterostructure is analyzed using ab initio calculations. This hybrid system shows large Rashba spin splitting, a high carrier mobility and valleytronic characteristics. Abstract : The structural and electronic properties of the 1T-SnS2 /MoTe2 heterostructure were investigated based on density functional theory and Berry curvature calculations. Considering the strong spin–orbit coupling and space inversion asymmetry, large Rashba spin splitting of electronic bands appeared in this hybrid system. The Rashba coupling parameter α R in 1T-SnS2 /MoTe2 reached 0.383 eV Å. Importantly, α R can be effectively tuned by biaxial strain. Moreover, our first-principles calculations show that the 1T-SnS2 /MoTe2 heterostructure possesses a high carrier mobility of 5038.46 cm 2 V −1 s −1 . The Berry curvature and spin splitting were opposite at the K and K ′ valleys. Hence, the valleys and spins were simultaneously locked and polarized, and the valley and spin Hall effects simultaneously occurred.