Effects of gallium and arsenic substitution on the electronic and magnetic properties of monolayer SnS

Abstract

Monolayer tin sulphide (SnS) is an extraordinary two-dimensional material with semiconductor nature. We have explored the doping effects of Gallium (Ga) and Arsenic (As) atoms on the electronic and magnetic properties of monolayer SnS using first-principles calculations. We find that the doped system are energetically stable due to high binding energies. Both the dopants retain the semiconductor nature of monolayer SnS with a tuneable band gap. Interestingly, spin-polarization with magnetic moment of 1.00 μ B has been induced in both Ga- and As-doped monolayer SnS. Moreover, the realization of magnetic anisotropy energy (MAE) could pave a way to utilize Ga- and As-doped monolayer SnS for applications in magnetic semiconductor devices.