Electronic structure characteristics of hydride defects titanium and zirconium dihydrides

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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

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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