Coherent-potential-approximation calculations for PdH/sub x/
Journal Article
·
· Phys. Rev., B; (United States)
The angular-momentum components of the density of states (DOS) for substoichiometric PdH/sub x/ 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 x. 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 x are in excellent agreement with experiment while the results of the rigid-band model are not.
- Research Organization:
- Naval Research Laboratory, Washington, D. C. 20375
- OSTI ID:
- 6694645
- Journal Information:
- Phys. Rev., B; (United States), Journal Name: Phys. Rev., B; (United States) Vol. 18:6; ISSN PLRBA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
656102 -- Solid State Physics-- Superconductivity-- Acoustic
Electronic
Magnetic
Optical
& Thermal Phenomena-- (-1987)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRONIC SPECIFIC HEAT
ELECTRONIC STRUCTURE
ENERGY-LEVEL DENSITY
HYDRIDES
HYDROGEN COMPOUNDS
PALLADIUM COMPOUNDS
PALLADIUM HYDRIDES
PHYSICAL PROPERTIES
SPECIFIC HEAT
SUPERCONDUCTIVITY
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS
TRANSITION TEMPERATURE
360104* -- Metals & Alloys-- Physical Properties
656102 -- Solid State Physics-- Superconductivity-- Acoustic
Electronic
Magnetic
Optical
& Thermal Phenomena-- (-1987)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRONIC SPECIFIC HEAT
ELECTRONIC STRUCTURE
ENERGY-LEVEL DENSITY
HYDRIDES
HYDROGEN COMPOUNDS
PALLADIUM COMPOUNDS
PALLADIUM HYDRIDES
PHYSICAL PROPERTIES
SPECIFIC HEAT
SUPERCONDUCTIVITY
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS
TRANSITION TEMPERATURE