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Local excitations in metals
| Content Provider | Scilit |
|---|---|
| Author | Eckardt, H. Fritsche, L. |
| Copyright Year | 1987 |
| Description | Journal: Journal of Physics F: Metal Physics Electronic excitations in the valence electron system of a perfectly ordered solid can either take place as ordinary intra- or interband transitions between Bloch states or as local processes. The present study is concerned with the latter. The model employed describes the excitations as atomic-like where the embedding in a host material is simulated by assigning the various levels of the atom under study fractional occupation numbers. The latter are derived beforehand from a self-consistent electronic structure calculation on the bulk material. The calculations are based on a generalised Kohn-Sham theory which applies also to excitations. It is assumed that the atom under study is quasi-instantaneously screened as the excitation takes place. The frequently discussed non-dispersive peak seen in the photoemission spectrum of Ni at 6.3 eV below the Fermi level can quantitatively be explained within the authors' model. In addition the authors study similar processes in the valence electron system of Cu metal and core excitations of the elemental metals of Pd, Pt, Mo and W. The overall agreement with the respective experimental data is very satisfactory. Satellites in the core spectra prove to correlate with different screening configurations of the core holes. |
| Related Links | http://iopscience.iop.org/article/10.1088/0305-4608/17/8/024/pdf |
| Ending Page | 1806 |
| Page Count | 12 |
| Starting Page | 1795 |
| ISSN | 03054608 |
| DOI | 10.1088/0305-4608/17/8/024 |
| Journal | Journal of Physics F: Metal Physics |
| Issue Number | 8 |
| Volume Number | 17 |
| Language | English |
| Publisher | IOP Publishing |
| Publisher Date | 1987-08-01 |
| Access Restriction | Open |
| Subject Keyword | Journal: Journal of Physics F: Metal Physics Condensed Matter Physics Kohn Sham |
| Content Type | Text |
| Resource Type | Article |
| Subject | Metals and Alloys 3100/3101 Engineering |
