| Автор | Ya Shchur |
| Автор | S Kamba |
| Автор | J Petzelt |
| Дата выпуска | 1999-05-03 |
| dc.description | Lattice dynamics calculations for the Cs<sub>2</sub>CdBr<sub>4</sub> crystal in the high-temperature orthorhombic phase (Pnma) and in the monoclinic phase (P2<sub>1</sub>/n11) at ~195 K were carried out. The model was based on the atom-atom potential function which comprised the long-range Coulombic, short-range and covalent interactions. Comparison of the calculated phonon frequencies with the experimental ones obtained from far-infrared reflectivity and Raman scattering measurements gives a reasonable agreement in most cases. A possible origin of the incommensurate phase transition was discussed on the basis of a coupling between low-lying <sub>2</sub> phonon branches. Using group-theory analysis and the calculated phonon dispersion branches, it is shown that the P2<sub>1</sub>/n11-P phase transition is very probably induced by the condensation of a phonon mode at the Brillouin zone boundary. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Lattice dynamics simulation of Cs<sub>2</sub>CdBr<sub>4</sub> crystal |
| Тип | paper |
| DOI | 10.1088/0953-8984/11/17/319 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 11 |
| Первая страница | 3615 |
| Последняя страница | 3628 |
| Выпуск | 17 |
