Study on the electronic properties and carrier mobility in two-dimensional Janus material SMoGeZ₂ (Z = N, P, As) by using density functional theory

Abstract

The successful fabrication of asymmetric two-dimensional Janus monolayers has opened up a new potential research direction. In this paper, we use density functional theory to study the properties of Janus monolayer SMoGeZ₂ (Z = N, P, As), including stability, electronic properties, mechanical properties, and carrier mobility. The results of the cohesive energy and phonon spectrum confirm that the SMoGeZ₂ monolayer has a stable structure. Both PBE and HSE06 calculations show that SMoGeZ₂ is a semiconductor with an indirect band gap. Additionally, this material exhibits isotropic mechanical properties and high mechanical strength. The calculation results demonstrate that the carrier mobility is anisotropic. Electron mobility ranges from 196.38 to 333.29 cm².V⁻¹.s⁻¹, while hole mobility ranges from 82.39 to 312.78 cm².V⁻¹.s⁻¹.