Magnetic anisotropic effects and electronic correlations in MnBi ferromagnet

V. P. Antropov, V. N. Antonov, L. V. Bekenov, A. Kutepov, B Kotliar

Research output: Contribution to journalArticle

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Abstract

The electronic structure and numerous magnetic properties of MnBi magnetic systems are investigated using local spin density approximation (LSDA) with on-cite Coulomb correlations (LSDA+U) included. We show that the inclusion of Coulomb correlations provides a much better description of equilibrium magnetic moments on Mn atoms as well as the magnetic anisotropy energy behavior with temperature and magneto-optical effects. We found that the inversion of the anisotropic pairwise exchange interaction between Bi atoms is responsible for the observed spin reorientation transition at 90 K. This interaction appears as a result of strong spin orbit coupling on Bi atoms, large magnetic moments on Mn atoms, significant p-d hybridization between Mn and Bi atoms, and it depends strongly on lattice constants (anisotropic Bi-Bi exchange striction). A better agreement with the magneto-optical Kerr measurements at higher energies is obtained. We also present the detailed investigation of the Fermi surface, the de Haas-van Alphen effect, and the x-ray magnetic circular dichroism in MnBi.

Original languageEnglish (US)
Article number054404
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume90
Issue number5
DOIs
StatePublished - Aug 7 2014

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Atoms
electronics
atoms
Magnetic moments
magnetic moments
Magnetooptical effects
Fermi surface
Magnetic anisotropy
Exchange interactions
Dichroism
approximation
dichroism
retraining
Lattice constants
Fermi surfaces
Electronic structure
Magnetic properties
Orbits
interactions
inclusions

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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title = "Magnetic anisotropic effects and electronic correlations in MnBi ferromagnet",
abstract = "The electronic structure and numerous magnetic properties of MnBi magnetic systems are investigated using local spin density approximation (LSDA) with on-cite Coulomb correlations (LSDA+U) included. We show that the inclusion of Coulomb correlations provides a much better description of equilibrium magnetic moments on Mn atoms as well as the magnetic anisotropy energy behavior with temperature and magneto-optical effects. We found that the inversion of the anisotropic pairwise exchange interaction between Bi atoms is responsible for the observed spin reorientation transition at 90 K. This interaction appears as a result of strong spin orbit coupling on Bi atoms, large magnetic moments on Mn atoms, significant p-d hybridization between Mn and Bi atoms, and it depends strongly on lattice constants (anisotropic Bi-Bi exchange striction). A better agreement with the magneto-optical Kerr measurements at higher energies is obtained. We also present the detailed investigation of the Fermi surface, the de Haas-van Alphen effect, and the x-ray magnetic circular dichroism in MnBi.",
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Magnetic anisotropic effects and electronic correlations in MnBi ferromagnet. / Antropov, V. P.; Antonov, V. N.; Bekenov, L. V.; Kutepov, A.; Kotliar, B.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 90, No. 5, 054404, 07.08.2014.

Research output: Contribution to journalArticle

TY - JOUR

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AU - Antropov, V. P.

AU - Antonov, V. N.

AU - Bekenov, L. V.

AU - Kutepov, A.

AU - Kotliar, B

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AB - The electronic structure and numerous magnetic properties of MnBi magnetic systems are investigated using local spin density approximation (LSDA) with on-cite Coulomb correlations (LSDA+U) included. We show that the inclusion of Coulomb correlations provides a much better description of equilibrium magnetic moments on Mn atoms as well as the magnetic anisotropy energy behavior with temperature and magneto-optical effects. We found that the inversion of the anisotropic pairwise exchange interaction between Bi atoms is responsible for the observed spin reorientation transition at 90 K. This interaction appears as a result of strong spin orbit coupling on Bi atoms, large magnetic moments on Mn atoms, significant p-d hybridization between Mn and Bi atoms, and it depends strongly on lattice constants (anisotropic Bi-Bi exchange striction). A better agreement with the magneto-optical Kerr measurements at higher energies is obtained. We also present the detailed investigation of the Fermi surface, the de Haas-van Alphen effect, and the x-ray magnetic circular dichroism in MnBi.

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