Large spin gaps in half metals MN4 (M=Mn, Fe, Co) with N2 dimers

Jun Deng, Ning Liu, Jiangang Guo +1

We predict that cubic MN4 (M=Mn, Fe, Co) are all half metals with the largest spin gap up to ~ 5 eV. They possess robust ferromagnetic ground states with the highest Curie temperat…