Vibrational properties of crystalline Sb2Te3 from first principles

Phonon dispersion relations and infrared and Raman spectra of crystalline Sb2Te3 were computed within density functional perturbation theory. Overall good agreement with experiments is obtained, which allows us to assign the Raman and IR peaks to specific phonons.

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Bibliographische Detailangaben
Veröffentlicht in:	Journal of physics. Condensed matter 2009-03, Vol.21 (9), p.095410-095410 (6)
Hauptverfasser:	Sosso, G C, Caravati, S, Bernasconi, M
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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Beschreibung
Zusammenfassung:	Phonon dispersion relations and infrared and Raman spectra of crystalline Sb2Te3 were computed within density functional perturbation theory. Overall good agreement with experiments is obtained, which allows us to assign the Raman and IR peaks to specific phonons.
ISSN:	0953-8984 1361-648X
DOI:	10.1088/0953-8984/21/9/095410