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Electronic structure and x-ray magnetic circular dichroism of Mn-doped TiO2 (2016)

L. V. Bekenov and V. N. Antonov

American Institute of Physics (AIP)

In: Low Temperature Physics

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Publication Date: 2016-01-01

Description: The electronic structure of (Ti,Mn)O 2 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 L 2,3 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.

Print ISSN: 1063-777X

Electronic ISSN: 1090-6517

Topics: Physics

Published by American Institute of Physics (AIP)

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