Ab initio study on the possible magnetic topological semimetallic state in MnMg2O4

S. Tomita, D. P. Yao, H. Tsuchiura, K. Nomura

Research output: Contribution to journalArticlepeer-review

Abstract

We study the electronic state of an inverse spinel compound MnMg2O4 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.

Original languageEnglish
Article number35331
JournalAIP Advances
Volume12
Issue number3
DOIs
Publication statusPublished - Mar 1 2022
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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