| Автор | Björn Winkler |
| Автор | V Milman |
| Дата выпуска | 1997-11-10 |
| dc.description | Ab initio total energy calculations based on density functional theory and the generalized gradient approximation in conjunction with a constant-pressure minimization algorithm have been used to investigate the pressure-induced structural phase transitions in CsI. According to the calculations, increasing the pressure above causes a small continuous distortion of the ambient pressure B2 structure. At higher pressures, a weakly first-order isosymmetric transition occurs at . The high-pressure polymorph has an orthorhombic `hcp-like' structure with space group Pmma. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Polymorphism of CsI |
| Тип | paper |
| DOI | 10.1088/0953-8984/9/45/009 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 9 |
| Первая страница | 9811 |
| Последняя страница | 9817 |
| Выпуск | 45 |
