Electronic density of states and the x-ray photoelectron spectra of the valence band of Cu-Pd alloys

Journal Article · Sat Feb 15 00:00:00 EST 1986 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.33.2370· OSTI ID:6212377

Winter, H; Durham, P J; Temmerman, W M; Stocks, G M

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), Vol. 33:4
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
COPPER ALLOYS
ELECTRONIC STRUCTURE
ENERGY-LEVEL DENSITY
PHOTOELECTRON SPECTROSCOPY
PALLADIUM ALLOYS
FCC LATTICES
FERMI LEVEL
HYBRIDIZATION
RANDOMNESS
SELF-CONSISTENT FIELD
SPECIFIC HEAT
X RADIATION
ALLOYS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ELECTROMAGNETIC RADIATION
ELECTRON SPECTROSCOPY
ENERGY LEVELS
IONIZING RADIATIONS
PHYSICAL PROPERTIES
PLATINUM METAL ALLOYS
RADIATIONS
SPECTROSCOPY
THERMODYNAMIC PROPERTIES
360104* - Metals & Alloys- Physical Properties