NDLI: Electronic structure and lattice stability in the dihydrides of titanium, zirconium, and hafnium

Content Provider	Semantic Scholar
Author	Kulkova, Svetlana E. Muryzhnikova, O. N. Naumov, Ivan I.
Copyright Year	1999
Abstract	A self-consistent linear MT-orbital method in the atomic sphere approximation (LMTO-ASA) is used to calculate the electronic structure of the dihydrides of the group IV metals in their cubic and tetragonal phases. The effect of tetragonal deformation and hydrogen vacancies on the electronic characteristics is studied. Satisfactory agreement is obtained with experimental data of photoelectron spectra. The nature of the instability in the high-temperature cubic phase is discussed.
Starting Page	1763
Ending Page	1770
Page Count	8
File Format	PDF HTM / HTML
DOI	10.1134/1.1131093
Alternate Webpage(s)	https://page-one.springer.com/pdf/preview/10.1134/1.1131093
Alternate Webpage(s)	https://doi.org/10.1134/1.1131093
Volume Number	41
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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