Enhanced electron–phonon scattering in Janus MoSSe

Abstract

Abstract Electron–phonon (e–ph) interaction in monolayer Janus MoSSe has been investigated using ab initio approach. We find that the asymmetric structure induced net dipole moment in MoSSe introduce an enhanced e–ph interaction compared to the symmetric MoS 2 . Through the mode resolved scattering analysis, we demonstrate that the out-of-plane optical mode in MoSSe contributing to the total e–ph scattering rates are much more than MoS 2 . Around the band edges, the maximum mean free paths (MFPs) of both electrons and holes along zigzag (ZZ) direction are found to be 4 nm in MoSSe, while the MFPs along armchair directions are significantly shorter than along ZZ direction, meaning the highly anisotropic transport properties in MoSSe.