Author(s): Yu, SB (Yu, Sheng-Bin); Zhou, M (Zhou, Ma); Zhang, D (Zhang, Dong); Chang, K (Chang, Kai)

Source: PHYSICAL REVIEW B Volume: 104 Issue: 7 Article Number: 075435 DOI: 10.1103/PhysRevB.104.075435 Published: AUG 19 2021

Abstract: Sizable Rashba spin-orbit coupling (SOC) is of critical importance in potential applications of two-dimensional materials in spintronics devices. However, due to the presence of vertical mirror symmetry, Rashba SOC is absent in 2H transition-metal dichalcogenide monolayers and the spin Hall conductivities are attributed only to Zeeman splitting. We study theoretically the electronic structures and intrinsic spin Hall conductivity of two-dimensional monolayer Janus MoSSe by performing first-principles calculations as well as by using the Kubo formula with Wannier interpolations. We find out that monolayer Janus MoSSe possesses considerable spin Hall conductivities both in conduction and valence bands. In valence bands, the spin Hall conductivity of Janus MoSSe is comparable to that in MoS2 and MoSe2. Moreover, in the conduction bands, the spin Hall conductivities are enhanced up to two orders of magnitude because of strong Rashba SOC. The spin Hall conductivity can be tuned significantly by adjusting the Fermi level or external strains. Our results show that monolayer Janus MoSSe could be a potential candidate to realize two-dimensional flexible spintronics devices.

Accession Number: WOS:000686911100003

ISSN: 2469-9950

eISSN: 2469-9969

Full Text: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.104.075435