Abstract
Abstract In this paper, based on first-principles calculations, we investigate the energy valley and spin-orbit coupling properties of Janus monolayer MA2Z4. The stability of different structures is illustrated. Due to the breaking of mirror symmetry, Rashba splitting occurs at the Γ point in the band structures of Janus monolayers WSiGeN4 and WSi2(NP)2. The relationship between Rashba spin-orbit coupling strength and potential energy gradient and d-orbital composition is explored. Janus monolayer WSi2(NP)2 has stronger Rashba effect than WSiGeN4 due to the strong asymmetry of the d orbital of W atom. These results help to promote the application of two-dimensional materials in spintronics and valleytronics.
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