Coherent-potential-approximation calculations for
- 15 September 1978
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 18 (6) , 2784-2791
- https://doi.org/10.1103/physrevb.18.2784
Abstract
The angular-momentum components of the density of states (DOS) for substoichiometric were calculated by the coherent-potential approximation (CPA). A tight-binding form of the CPA was used, based on a Slater-Koster fit to first-principles APW calculations. The CPA DOS's have been used to calculate the electron-phonon interaction and superconducting transition temperatures as a function of hydrogen concentration . The results are in good agreement with experiment and with previous calculations in which the rigid-band model was utilized. The CPA results for the electronic-specific-heat coefficient as a function of are in excellent agreement with experiment while the results of the rigid-band model are not.
Keywords
This publication has 31 references indexed in Scilit:
- Inverse Isotope Effect and the Dependence of the Superconducting Transition Temperature in andPhysical Review Letters, 1977
- The molar heat capacity of superconducting PdDx in the temperature range from 2 to 12 KPhysica Status Solidi (a), 1976
- Phonon spectra of nonstoichiometric palladium hydridesPhysical Review B, 1976
- The molar heat capacity of non-superconducting PdHx in the temperature range from 2 to 7 KPhysica Status Solidi (a), 1976
- Molar heat capacity of superconducting PdHx at low temperaturesPhysica Status Solidi (a), 1975
- APW-LCAO band model forcompoundsPhysical Review B, 1975
- Superconductivity in the palladium-hydrogen and palladium-nickel-hydrogen systemsPhysica Status Solidi (a), 1972
- Superconductivity in the palladium-hydrogen and the palladium-deuterium systemsThe European Physical Journal A, 1972
- Low-Temperature Specific Heat of Palladium Containing Interstitial HydrogenPhysical Review B, 1966
- An efficient method for finding the minimum of a function of several variables without calculating derivativesThe Computer Journal, 1964