Density functional theory calculations demonstrate that rocksalt MgN is a magnetic material at the verge of half-metallicity, with an electronic structure robust against strong correlations and spin-orbit interaction. Furthermore the calculated heat of formation describes the compound as metastable and suggests that it can be fabricated by tuning the relative Mg and N abundance during growth. Intriguingly the equilibrium lattice constant is close to that of MgO, so that MgN is likely to form as an inclusion during the fabrication of N-doped MgO. We then speculate that the MgO/MgN system may represent a unique materials platform for magnetic tunnel junctions not incorporating any transition metals.
@article{arxiv.0905.2387,
title = {MgN: a new promising material for spintronic applications},
author = {A. Droghetti and N. Baadji and S. Sanvito},
journal= {arXiv preprint arXiv:0905.2387},
year = {2015}
}