Strain modulations of magnetism in Fe-doped InSe monolayer

Abstract

First-principles calculations are performed to investigate the electronic and magnetic characteristics of Fe-doped two-dimensional (2D) InSe monolayer by applying biaxial compressive and tensile strains. Our studies show that Fe substituting indium atom can be realized easily under Se-rich experimental environments, and can induce the magnetic semiconducting characteristics. Interestingly, the magnetic moments are insensitive to the strain ~ −6% to 6% range. However, loading larger tensile strain can decrease the magnetic moments sharply. Moreover, the system still retains semiconducting characteristics under compressive strain, while a transition occurs from semiconductor to metal beyond the tensile strain 8%. These results provide the theoretical predications that Fe-doped 2D InSe material may be applied in the spintronic devices.