Materials Design of Ferromagnetic Diamond

We propose materials design of ferromagnetic diamond without any transition metal elements based on first principles calculations. The electronic structure and the magnetic properties of impurities-doped diamond are calculated by using the Korringa-Kohn-Rostoker method within the local spin density approximation with taking into account disorder using coherent potential approximation. It is found that H atoms which are doped into tetrahedral interstitial sites show finite local magnetic moments. Moreover, the impurities-doped diamond show ferromagnetism with half-metallic density of states.