Ab initio study on the possible magnetic topological semimetallic state in MnMg${}_2$O${}_4$}

Abstract

We study the electronic state of an inverse spinel compound MnMg${}_2$O${}_4$ based on first-principles calculations. The high-spin state is realized in Mn ions 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 (AHC) 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 relation between the large AHC and Berry curvature in the Brillouin zone is also discussed.

arXiv commentto appear in AIP advances

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