Electronic density of states and the x-ray photoelectron spectra of the valence band of Cu-Pd alloys
Journal Article
·
· Phys. Rev. B: Condens. Matter; (United States)
We present self-consistent-field Korringa-Kohn-Rostoker coherent-potential-approximation calculations of the electronic density of states of random Cu/sub c/Pd/sub 1-c/ alloys. We find strong hybridization of the palladium d bands with the copper d bands over the entire concentration range. We do not obtain a palladium virtual bound state for the copper-rich alloys and therefore contradict the interpretation generally placed on valence-band x-ray photoelectron spectroscopy (XPS) spectra for Cu-Pd. Nevertheless, our first-principles calculations of the XPS spectra are in excellent agreement with recent measurements, and we discuss why this is so. Furthermore, we compare our density of states at the Fermi energy with specific-heat measurements.
- Research Organization:
- Institut fuer Technische Physik, Kerforschungzentrum Karlsruhe, Postfach 3640, D-7500 Karlsruhe, Federal Republic of Germany
- OSTI ID:
- 6212377
- Journal Information:
- Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 33:4; ISSN PRBMD
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ALLOYS
COPPER ALLOYS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ELECTROMAGNETIC RADIATION
ELECTRON SPECTROSCOPY
ELECTRONIC STRUCTURE
ENERGY LEVELS
ENERGY-LEVEL DENSITY
FCC LATTICES
FERMI LEVEL
HYBRIDIZATION
IONIZING RADIATIONS
PALLADIUM ALLOYS
PHOTOELECTRON SPECTROSCOPY
PHYSICAL PROPERTIES
PLATINUM METAL ALLOYS
RADIATIONS
RANDOMNESS
SELF-CONSISTENT FIELD
SPECIFIC HEAT
SPECTROSCOPY
THERMODYNAMIC PROPERTIES
X RADIATION
360104* -- Metals & Alloys-- Physical Properties
ALLOYS
COPPER ALLOYS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ELECTROMAGNETIC RADIATION
ELECTRON SPECTROSCOPY
ELECTRONIC STRUCTURE
ENERGY LEVELS
ENERGY-LEVEL DENSITY
FCC LATTICES
FERMI LEVEL
HYBRIDIZATION
IONIZING RADIATIONS
PALLADIUM ALLOYS
PHOTOELECTRON SPECTROSCOPY
PHYSICAL PROPERTIES
PLATINUM METAL ALLOYS
RADIATIONS
RANDOMNESS
SELF-CONSISTENT FIELD
SPECIFIC HEAT
SPECTROSCOPY
THERMODYNAMIC PROPERTIES
X RADIATION