Lattice dynamics of Fe-doped CoO from first principles

The vibrational dynamics of substitutional Fe and its influence on the vibrational properties of the host CoO matrix have been investigated using ab initio calculated Hellmann-Feynman forces. Corrections for the strong on-site interaction have been taken into account via the Hubbard potential U and...

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Veröffentlicht in:	Journal of physics. Condensed matter 2009-03, Vol.21 (12), p.125601-125601
Hauptverfasser:	Wdowik, U D, Parlinski, K
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Lattice dynamics Phonon states and bands, normal modes, and phonon dispersion Phonons and vibrations in crystal lattices Physics
Online-Zugang:	Volltext
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