Electronic structure and x-ray magnetic circular dichroism of Mn-doped TiO₂

The electronic structure of (Ti,Mn)O₂ diluted magnetic semiconductors was investigated theoretically from first principles using the fully relativistic Dirac linear muffin-tin orbital band structure method. The electronic structure was obtained with the local spin-density approximation taking into...

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Veröffentlicht in:Физика низких температур
Datum:2015
Hauptverfasser: Bekenov, L.V., Antonov, V.N.
Format: Artikel
Sprache:English
Veröffentlicht: Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України 2015
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Online Zugang:https://nasplib.isofts.kiev.ua/handle/123456789/128286
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Назва журналу:Digital Library of Periodicals of National Academy of Sciences of Ukraine
Zitieren:Electronic structure and x-ray magnetic circular dichroism of Mn-doped TiO₂ / L.V. Bekenov, V.N. Antonov // Физика низких температур. — 2015. — Т. 41, № 12. — С. 1254–1260. — Бібліогр.: 49 назв. — англ.

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Digital Library of Periodicals of National Academy of Sciences of Ukraine
Beschreibung
Zusammenfassung:The electronic structure of (Ti,Mn)O₂ diluted magnetic semiconductors was investigated theoretically from first principles using the fully relativistic Dirac linear muffin-tin orbital band structure method. The electronic structure was obtained with the local spin-density approximation taking into account strong Coulomb correlations in the frame of the LSDA + U approximation. The x-ray absorption spectra and x-ray magnetic circular dichroism spectra at the Mn and Ti L₂,₃ and O K edges were investigated theoretically from first principles. The origin of the XMCD spectra in these compounds was examined. The calculated results are compared with available experimental data.
ISSN:0132-6414