The electronic band structure and interatomic bond in nickel and titanium hydrides
- 1 March 1978
- journal article
- research article
- Published by Wiley in Physica Status Solidi (b)
- Vol. 86 (1) , 83-91
- https://doi.org/10.1002/pssb.2220860109
Abstract
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.Keywords
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