Аннотация
Self-consistent calculations of the electronic structure of titanium and zirconium dihydrides are performed in the cubic and the tetragonal phases by the linear muffin-tin orbital method in the atomic sphere approximation. The band structure of non-stoichiometric TiH1.5 and ZrH1.5 is calculated as well. The effect of the tetragonal distortion and the hydrogen vacancies on the electronic structure and the phase transition in the group IV-metal dihydrides is discussed.
Язык оригинала | Английский |
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Название основной публикации | Proceedings - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005 |
Страницы | 156-158 |
Число страниц | 3 |
Том | 1 |
DOI | |
Состояние | Опубликовано - 2005 |
Событие | 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005 - Novosibirsk, Российская Федерация Продолжительность: 26 июн 2005 → 2 июл 2005 |
Другое
Другое | 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005 |
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Страна | Российская Федерация |
Город | Novosibirsk |
Период | 26.6.05 → 2.7.05 |
ASJC Scopus subject areas
- Engineering(all)