Based on density functional perturbation theory, we have studied the vibrational properties of crystalline Li2TeO3. The calculated Raman and IR spectra are in good agreement with available experimental data and allow assigning the experimental peaks to specific phononic modes.
D'Alessio, L., Pietrucci, F., Bernasconi, M. (2007). First principles study of the vibrational properties of crystalline Li2TeO3. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 68(3), 438-444 [10.1016/j.jpcs.2006.12.027].
First principles study of the vibrational properties of crystalline Li2TeO3
PIETRUCCI, FABIO;BERNASCONI, MARCO
2007
Abstract
Based on density functional perturbation theory, we have studied the vibrational properties of crystalline Li2TeO3. The calculated Raman and IR spectra are in good agreement with available experimental data and allow assigning the experimental peaks to specific phononic modes.
File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
