Enhanced electron-phonon scattering in Janus MoSSe

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 MoS2. 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 MoS2. 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.