Influence of atomic vacancy ordering in the nonmetallic sublattice on the electronic structure of titanium hydride

Autor: V. S. Demidenko, I. A. Nechaev, V. I. Simakov
Rok vydání: 1998
Předmět:
Zdroj: Russian Physics Journal. 41:958-964
ISSN: 1573-9228
1064-8887
Popis: We present a calculation of the electronic density of states in TiHx alloys (x=2.0, 1.7, and 1.5) with various degrees of long-range atomic order, η, in the subsystem of hydrogen and vacancies in the nonstoichiometric hydrides. In comparing the calculated results with the features of the photoelectron spectrum of TiH1.5 we find agreement for η=0.5. We determine the temperature range for the establishment of atomic vacancy order.
Databáze: OpenAIRE