The electronic structure of non-stoichiometric Pd-rich Pd-Ag hydrides

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Abstract
The authors analyse in detail the KKR CPA calculations of Pindor et al. (1983) on the electronic structure of a series of non-stoichiometric Pd-rich Pd-Ag hydrides. The authors find the hydrogen-metal bonding band split off the bottom of the metal d bands for all H concentrations. They study the electronic structure at high symmetry points and along the Gamma L direction, and in particular they find two L2' states. They comment on the relationship of their results to the stability of hydride formation.