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

Satoshi Tomita; DaPeng Yao; Hiroki Tsuchiura; Kentaro Nomura

doi:10.1063/9.0000317

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

Materials Science 2022-03-22 v1 Mesoscale and Nanoscale Physics

Authors: Satoshi Tomita , DaPeng Yao , Hiroki Tsuchiura , Kentaro Nomura

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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.

Keywords

first-principles calculation inverse spinel half-metallic semimetal anomalous hall conductivity berry curvature line node

Cite

@article{arxiv.2201.07440,
  title  = {Ab initio study on the possible magnetic topological semimetallic state in MnMg$_{2}$O$_{4}$}},
  author = {Satoshi Tomita and DaPeng Yao and Hiroki Tsuchiura and Kentaro Nomura},
  journal= {arXiv preprint arXiv:2201.07440},
  year   = {2022}
}

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to appear in AIP advances

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

Abstract

Keywords

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