KKR CPA for two atoms per unit cell: application to Pd and PdAg hydrides
- 1 August 1983
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 13 (8) , 1627-1644
- https://doi.org/10.1088/0305-4608/13/8/009
Abstract
The authors implement the KKR CPA for systems with two atoms per unit cell. They apply this to the study of the electronic structure of nonstoichiometric Pd-H and Ag-Pd-H. They find in comparison with previous CPA calculations the effects of random hybridisation and random 'overlap integrals' to be important. They also discuss in detail the self-consistent effective medium.Keywords
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