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

Paulo E. Faria Junior; Koen A. De Mare; Klaus Zollner; Kyo Hoon Ahn; Sigurdur I. Erlingsson; Mark Van Schilfgaarde; Karel Výborný

doi:10.1103/PhysRevB.107.L100417

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

Paulo E. Faria Junior, Koen A. De Mare, Klaus Zollner, Kyo Hoon Ahn, Sigurdur I. Erlingsson, Mark Van Schilfgaarde, Karel Výborný

Department of Engineering

Research output: Contribution to journal › Article › peer-review

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)10.1103/PhysRevMaterials.6.014404] 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.

Original language	English
Article number	L100417
Journal	Physical Review B
Volume	107
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevB.107.L100417
Publication status	Published - 27 Mar 2023

Bibliographical note

Funding Information:
Acknowledgments. We acknowledge assistance of Swagata Acharya with QSGW calculations and a preliminary KKR survey by A. Marmodoro; funding was provided by Grants No. 22-21974S and EU FET Open RIA No. 766566, M.v.S. was supported by the DOE-BES Division of Chemical Sciences under Contract No. DE-AC36-08GO28308 and P.E.F.J. acknowledges financial support from the Alexander von Humboldt Foundation, Capes (Grant No. 99999.000420/2016-06) and Deutsche Forschungsgemeinschaft SFB 1277 (Project No. ID314695032, Subprojects No. B07 and No. B11).

Publisher Copyright:
© 2023 American Physical Society.

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10.1103/PhysRevB.107.L100417

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title = "Sensitivity of the MnTe valence band to the orientation of magnetic moments",

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)10.1103/PhysRevMaterials.6.014404] 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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note = "Funding Information: Acknowledgments. We acknowledge assistance of Swagata Acharya with QSGW calculations and a preliminary KKR survey by A. Marmodoro; funding was provided by Grants No. 22-21974S and EU FET Open RIA No. 766566, M.v.S. was supported by the DOE-BES Division of Chemical Sciences under Contract No. DE-AC36-08GO28308 and P.E.F.J. acknowledges financial support from the Alexander von Humboldt Foundation, Capes (Grant No. 99999.000420/2016-06) and Deutsche Forschungsgemeinschaft SFB 1277 (Project No. ID314695032, Subprojects No. B07 and No. B11). Publisher Copyright: {\textcopyright} 2023 American Physical Society. ",

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AU - De Mare, Koen A.

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AU - Erlingsson, Sigurdur I.

AU - Van Schilfgaarde, Mark

AU - Výborný, Karel

N1 - Funding Information: Acknowledgments. We acknowledge assistance of Swagata Acharya with QSGW calculations and a preliminary KKR survey by A. Marmodoro; funding was provided by Grants No. 22-21974S and EU FET Open RIA No. 766566, M.v.S. was supported by the DOE-BES Division of Chemical Sciences under Contract No. DE-AC36-08GO28308 and P.E.F.J. acknowledges financial support from the Alexander von Humboldt Foundation, Capes (Grant No. 99999.000420/2016-06) and Deutsche Forschungsgemeinschaft SFB 1277 (Project No. ID314695032, Subprojects No. B07 and No. B11). Publisher Copyright: © 2023 American Physical Society.

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

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