Substitutional transition metal doping in MoSi2N4 monolayer: structural, electronic and magnetic properties

We find that the Sc-, Y-, Ti-, and Zr–MoSi2N4 are metallic systems, while Mn-, Tc-, and Ru–MoSi 2 N 4 are n-type conducting. The Fe–MoSi 2 N 4 is a dilute magnetic semiconductor.