Low Temperature Physics: 41, 979 (2015); https://doi.org/10.1063/1.4935695
Физика Низких Температур: Том 41, Выпуск 12 (Декабрь 2015), c. 1254-1260    ( к оглавлению , назад )

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

L.V. Bekenov and V.N. Antonov

G.V. Kurdyumov Institute for Metal Physics National of the Sciences of Ukraine 36 Academician Vernadsky Blvd., UA-03680, Kiev-142, Ukraine
E-mail: vantonov@mpi-halle.mpg.de

Max-Planck Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle

Received May 8, 2015


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.

PACS: 75.50.Cc Other ferromagnetic metals and alloys;
PACS: 71.20.Lp Intermetallic compounds;
PACS: 71.15.Rf Relativistic effects.

Key words: electronic structure, spintronics, magnetic semiconductors.

Published online: October 23, 2015