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The electronic band structure and interatomic bond in nickel and titanium hydrides
Author(s) -
Kulikov N. I.,
Borzunov V. N.,
Zvonkov A. D.
Publication year - 1978
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220860109
Subject(s) - nickel , hydride , electronic band structure , electronic structure , titanium , titanium hydride , materials science , transition metal , nickel titanium , condensed matter physics , chemistry , computational chemistry , thermodynamics , metallurgy , metal , physics , catalysis , shape memory alloy , biochemistry
Using an approximation for solving the Korringa‐Kohn‐Rostoker equation the band structure of titanium and nickel dihydrides and nickel hydride are calculated. The results are compared with experimental data. The applicability of the anionic and protonic models of hydrides are discussed. From the tendency of the palladium hydride band structure one can conclude that nickel dihydride has a superconducting transition at nonzero temperature. The results of band structure calculations of titanium dihydride allow to explain the f.c.c.‐f.c.t. phase transition for this compound.