Half-metallic ferromagnetism in transition-metal doped germanium nitride: A first-principles study

摘要

The electronic and magnetic properties of transition-metal doped$\beta$-Ge3N4 have been studied using first-principles calculations. Theresults show that the substitutional transition-metal impurities tend tocluster. The V and Cr doped Ge3N4 compounds are ferromagnetic semiconductors,while the compounds with Mn and Fe doping show a half-metallic ferromagneticcharacter.