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

Fingerprint Подробные сведения о темах исследования «Electronic structure characteristics of hydride defects titanium and zirconium dihydrides». Вместе они формируют уникальный семантический отпечаток (fingerprint).

Цитировать

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

@inproceedings{e9c48f636c0f4cb9b1f04d922d3a0169,

title = "Electronic structure characteristics of hydride defects titanium and zirconium dihydrides",

abstract = "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.",

author = "Imas, {O. N.}",

year = "2005",

doi = "10.1109/KORUS.2005.1507671",

language = "English",

isbn = "0780389433",

volume = "1",

pages = "156--158",

booktitle = "Proceedings - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005",

note = "9th Russian-Korean International Symposium on Science and Technology, KORUS-2005 ; Conference date: 26-06-2005 Through 02-07-2005",

}

TY - GEN

T1 - Electronic structure characteristics of hydride defects titanium and zirconium dihydrides

AU - Imas, O. N.

PY - 2005

Y1 - 2005

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=33746106590&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33746106590&partnerID=8YFLogxK

U2 - 10.1109/KORUS.2005.1507671

DO - 10.1109/KORUS.2005.1507671

M3 - Conference contribution

AN - SCOPUS:33746106590

SN - 0780389433

SN - 9780780389434

VL - 1

SP - 156

EP - 158

BT - Proceedings - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005

T2 - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005

Y2 - 26 June 2005 through 2 July 2005

ER -