Electronic structure of Au and Pt and of the dns1impurities in these metals
- 1 October 1982
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 12 (10) , 2171-2184
- https://doi.org/10.1088/0305-4608/12/10/012
Abstract
The fully relativistic KKR method is used to calculate the electronic structures of Au, Pt and the dns1 impurities in these metals, where n=7, 8, 9 and 10. In the case of the pure metals, the calculated theoretical N6,7 spectra are in excellent agreement with experiment. In the case of the impurities, characteristic differences in the electronic structures of 3d, 4d and 5d impurities in Au and Pt are found. For Ni in Pt the present calculations are remarkably similar to the R KKR CPA calculations for Ni in Ni0.30Pt0.70.Keywords
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