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.
Sosso, G., Caravati, S., Bernasconi, M. (2009). Vibrational properties of crystalline Sb2Te3 from first principles. JOURNAL OF PHYSICS. CONDENSED MATTER, 21(9), 095410 [10.1088/0953-8984/21/9/095410].
Vibrational properties of crystalline Sb2Te3 from first principles
BERNASCONI, MARCO
2009
Abstract
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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