Electronic structure characteristics of hydride defects titanium and zirconium dihydrides

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 TiH^1.5 and ZrH_1.5 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
Название основной публикации	Proceedings - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005
Страницы	156-158
Число страниц	3
Том	1
DOI	https://doi.org/10.1109/KORUS.2005.1507671
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
Страна	Российская Федерация
Город	Novosibirsk
Период	26.6.05 → 2.7.05

ASJC Scopus subject areas

Engineering(all)

Доступ к документу

10.1109/KORUS.2005.1507671

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Electronic structure characteristics of hydride defects titanium and zirconium dihydrides. / Imas, O. N.

Proceedings - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005. Том 1 2005. стр. 156-158 1507671.

Результат исследований: Материалы для книги/типы отчетов › Материалы для конференции

Imas, ON 2005, Electronic structure characteristics of hydride defects titanium and zirconium dihydrides. в Proceedings - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005. том. 1, 1507671, стр. 156-158, 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005, Novosibirsk, Российская Федерация, 26.6.05. https://doi.org/10.1109/KORUS.2005.1507671

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