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

Abstract

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

19 pages, 4 figures

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