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- Title
Raman Scattering Spectra of β-LiNH<sub>4</sub>SO<sub>4</sub> Crystals.
- Authors
Rudysh, M. Ya.; Kashuba, A. I.; Stadnyk, V. Yo.; Brezvin, R. S.; Shchepanskyi, P. A.; Gaba, V. M.; Kohut, Z. O.
- Abstract
Vibrational spectra of β-LiNH4SO4 crystals in the ferroelectric phase (space group No. 33) are studied. The vibrational symmetry is classified using group-theoretical analysis. Vibrational frequencies of crystal structural elements are calculated ab initio within the framework of electron density functional theory and perturbation theory. Raman scattering spectra of β-LiNH4SO4 crystals are calculated and compared with the experimental data. The main structural components playing one of the major roles in the optical studies are discussed based on the theoretical calculations.
- Subjects
VIBRATIONAL spectra; RAMAN scattering; GROUP theory; DENSITY functional theory; PERTURBATION theory
- Publication
Journal of Applied Spectroscopy, 2019, Vol 85, Issue 6, p1022
- ISSN
0021-9037
- Publication type
Article
- DOI
10.1007/s10812-019-00754-z