First principles investigations on electronic and magnetic properties of Fe: SnO monolayer

Abstract

TM-doped semiconductor oxides received great recognition on account of their promising applications in the spintronics field. However, their non-half-metallic character and small Curie temperature restrict their wide-range applications in the field. First-principles formalism was adopted to investigate the structural, electronic, and magnetic properties of tin oxide (SnO) monolayer after doping with different concentrations of iron (Fe). The Mean Field Approximation is applied to calculate the Curie temperature. The room temperature ferromagnetism (FM) with a higher Curie temperature of 664 K, the net magnetic moment of 3.693 µB, and half metallicity are predicted in the Fe-doped SnO monolayer. The super-exchange interactions between host O-2p and dopant Fe-3d orbitals are considered responsible for FM in the material. So, the Fe-doped SnO monolayer can be a potential dilute magnetic semiconductor to realize a spin-TFT.

keywords: Doping , Half metallic ferromagnetic , Crystal field splitting, Diluted magnetic semiconductor