Spin-orbit coupling effect on electronic, optical, and thermoelectric properties of Janus GaSSe.

In this paper, we investigate the electronic, optical, and thermoelectric properties of GaSSe monolayer by using density functional theory. analysis of the phonon spectrum and molecular dynamics simulations, GaSSe is confirmed to be stable at room temperature. Our calculations demonstrate that GaSSe exhibits indirect semiconductor characteristics and the spin-orbit coupling (SOC) effect has slightly reduced its band gap.