Electronic structure characteristics of hydride defects titanium and zirconium dihydrides

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

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.

Original languageEnglish
Title of host publicationProceedings - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005
Pages156-158
Number of pages3
Volume1
DOIs
Publication statusPublished - 2005
Event9th Russian-Korean International Symposium on Science and Technology, KORUS-2005 - Novosibirsk, Russian Federation
Duration: 26 Jun 20052 Jul 2005

Other

Other9th Russian-Korean International Symposium on Science and Technology, KORUS-2005
CountryRussian Federation
CityNovosibirsk
Period26.6.052.7.05

Fingerprint

Zirconium
Hydrides
Electronic structure
Titanium
Defects
Band structure
Tin
Vacancies
Phase transitions
Hydrogen
Metals

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Imas, O. N. (2005). Electronic structure characteristics of hydride defects titanium and zirconium dihydrides. In Proceedings - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005 (Vol. 1, pp. 156-158). [1507671] https://doi.org/10.1109/KORUS.2005.1507671

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. Vol. 1 2005. p. 156-158 1507671.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Imas, ON 2005, Electronic structure characteristics of hydride defects titanium and zirconium dihydrides. in Proceedings - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005. vol. 1, 1507671, pp. 156-158, 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005, Novosibirsk, Russian Federation, 26.6.05. https://doi.org/10.1109/KORUS.2005.1507671
Imas ON. Electronic structure characteristics of hydride defects titanium and zirconium dihydrides. In Proceedings - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005. Vol. 1. 2005. p. 156-158. 1507671 https://doi.org/10.1109/KORUS.2005.1507671
Imas, O. N. / Electronic structure characteristics of hydride defects titanium and zirconium dihydrides. Proceedings - 9th Russian-Korean International Symposium on Science and Technology, KORUS-2005. Vol. 1 2005. pp. 156-158
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