Abstract

The electronic energy bands for some beta-phase palladium hydrides have been computed using the augmented plane wave method. TheX α exchange potential was used. It was found that the localizedd-type states are insensitive, in a relative sense, to the hydrogen concentration, while the other states are constantly elevated in energy as the hydrogen concentration is decreased. Some differences are noticed when the present bands are compared to the photoemission spectra, but the computed Fermi level density of states is in good agreement with electronic specific heat and magnetic susceptibility measurements.

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