Magnetism in monolayer InSe by nonmetal doping: First-principles study

To develop InSe-based spintronics devices, introducing magnetism into monolayer InSe is essential. In this work, the electronic and magnetic properties of nonmetal (NM) doped (H, B, C, Si, N, P, As, O, S, Te, F, Cl, Br and I) monolayer InSe were investigated by first-principles calculations. The results indicate that atoms from VA, VIA and VIIA groups are possible to substitute Se atoms under In-rich condition. Second, we have found that only the InSe doped with NM acceptors with odd number of valence electrons possesses magnetism. Especially B doped InSe is a half-metal. However, VIIA group doped InSe does not exhibit magnetism due to the In-In covalent bond. This work provides an important guidance for developing spintronic devices on monolayer InSe.