Steady semiconducting properties of monolayer PtSe with non-metal atom and transition metal atom doping.

Based on density functional theory, the electronic structure and magnetic properties of monolayer PtSe doped with different atoms were studied. The Pt and Se atoms are replaced by a transition metal atom (Mn) and a non-metal atom X (X = N, P, As), respectively. The pristine monolayer PtSe is a semiconductor with an indirect band gap of 1.