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

TL;DR

This study uses first-principles calculations to explore how transition-metal doping affects the electronic and magnetic properties of germanium nitride, revealing potential for spintronic applications.

Contribution

It provides new insights into the magnetic behavior of transition-metal doped Ge3N4, highlighting the emergence of half-metallicity and ferromagnetism.

Findings

V and Cr doped Ge3N4 are ferromagnetic semiconductors

Mn and Fe doped Ge3N4 exhibit half-metallic ferromagnetism

Transition-metal impurities tend to cluster in the host material

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.