Electronic structure and exchange interaction in Ga sub(1-x)

We have calculated the electronic structure of Ga sub(1-x )Mn sub( x )As and In sub(1-x )Mn sub( x )Sb diluted magnetic semiconductors and shown that, in agreement with recent photoelectron spectroscopy data, the Mn 4s and Mn 3d orbitals are hybridized with the valence band of the host semiconductor...

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Veröffentlicht in:Inorganic materials 2016-02, Vol.52 (2), p.89-93
Hauptverfasser: Yarzhemsky, V G, Murashov, S V, Izotov, AD
Format: Artikel
Sprache:eng
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Zusammenfassung:We have calculated the electronic structure of Ga sub(1-x )Mn sub( x )As and In sub(1-x )Mn sub( x )Sb diluted magnetic semiconductors and shown that, in agreement with recent photoelectron spectroscopy data, the Mn 4s and Mn 3d orbitals are hybridized with the valence band of the host semiconductor. A new approach has been developed for calculating exchange interaction in diluted magnetic semiconductors, which is based on the spin polarization of s-electrons at a magnetic center due to single-center exchange s-d matrix elements. The magnitude of exchange interaction calculated using Hartree-Fock atomic wave functions and the electrondensity-functional approach agrees well with previous data.
ISSN:0020-1685
1608-3172
DOI:10.1134/S0020168516020175