期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 980, 期 1-3, 页码 214-217出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molstruc.2010.07.016
关键词
Phonons; Lattice dynamics; Raman spectra; Infrared spectra
资金
- Council of Scientific and Industrial Research, New Delhi
A short range force constant model has been applied using normal coordinates for the first time in Sr(2)LnTaO(6) (Ln = Nd, Gd, Dy, Er, Yb) having space group P2(1)/n. The zone center phonons have been calculated with nine stretching and 11 bending force constants. The calculated values of the Raman and the infrared wavenumbers are in good agreement with the observed ones. The potential energy distribution has also been investigated for determining the significance of contribution from each force constant towards the Raman and the infrared wavenumbers. (C) 2010 Elsevier B.V. All rights reserved.
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