The electronic state of an inverse spinel compound based on first-principles calculations

Ab initio study on the possible magnetic topological semimetallic state in MnMg$_{2}$O$_{4}$}

We study the electronic state of an inverse spinel compound based on first-principles calculations.The high-spin state is realized in mnions on the diamond lattice, resulting in that this material is found to be a half-metallic semimetal with the minority spin-gap about 3ev, and also with line nodes in the brillouin zone.The intrinsic anomalous hall conductivity is also computed as a function of the chemical potential of the system assuming the rigid band structure, and is found to exhibit a peak structure with a maximum value of 200 s/cm at only 15 mev above the fermi level.The correlation between the large anomalous hall conductivity and the large berry curvature in the brillouin zone is also discussed.