Abstract
We present self-consistent-field Korringa-Kohn-Rostoker coherent-potential-approximation
calculations of the electronic density of states of random CucPd1-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.
Users
Please
log in to take part in the discussion (add own reviews or comments).