<p>Ab-initio results of the core-level shift and the distribution about the average for the 3<i>d</i><sub>5/2</sub> electrons of Ag, Pd and 2<i>p</i><sub>3/2</sub> of Cu are presented for the face-centered-cubic AgPd and CuPd random alloys. The complete screening model, which includes both initial and final states effects in the same scheme, has been used in the investigations. </p><p>The alloys have been modeled with a supercell containing 256 atoms. Density-functional theory calculations are carried out using the locally self consistent Green's function approach. </p><p>Results from the calculations clearly shows that the core-level shift distributions characteristic is Gaussian, but the components reveals a substantial difference in the FWHM (Full-Width at Half-Maximum). Comparison between the experimental and the calculated broadening shows a remarkable agreement.</p>
| Identifer | oai:union.ndltd.org:UPSALLA/oai:DiVA.org:liu-2580 |
| Date | January 2004 |
| Creators | Marten, Tobias |
| Publisher | Linköping University, The Department of Physics, Chemistry and Biology, Institutionen för fysik, kemi och biologi |
| Source Sets | DiVA Archive at Upsalla University |
| Language | English |
| Detected Language | English |
| Type | Student thesis, text |
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