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Sensitivity of the MnTe valence band to the orientation of magnetic moments

Paulo E. Faria Junior1, Koen A. de Mare2,3, Klaus Zollner1, Kyo-hoon Ahn3, Sigurdur I. Erlingsson4, Mark van Schilfgaarde5,6, and Karel Výborný3

  • 1Institute for Theoretical Physics, University of Regensburg, D-93040 Regensburg, Germany
  • 2Eindhoven University of Technology, Eindhoven NL-5612 AZ, Netherlands
  • 3FZU-Institute of Physics of the Czech Academy of Sciences, Cukrovarnická 10, Praha CZ-16253, Czech Republic
  • 4Department of Engineering, School of Technology, Reykjavik University, Menntavegi 1, IS-102 Reykjavik, Iceland
  • 5National Renewable Energy Laboratory, Golden, Colorado 80401, USA
  • 6Department of Physics, King's College London, Strand, London WC2R 2LS, United Kingdom

Phys. Rev. B 107, L100417 – Published 27 March, 2023

DOI: https://doi.org/10.1103/PhysRevB.107.L100417

Abstract

An effective model of the hexagonal (NiAs-structure) manganese telluride valence band in the vicinity of the A point of the Brillouin zone is derived. It is shown that whereas for the usual antiferromagnetic order (magnetic moments on the basal plane) band splitting at A is small, their out-of-plane rotation enhances the splitting dramatically (to about 0.5 eV). We propose extensions of recent experiments [Phys. Rev. Mater. 6, 014404 (2022)] where such inversion of magnetocrystalline anisotropy has been observed in Li-doped MnTe to confirm this unusual sensitivity of a semiconductor band structure to magnetic order.

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