A computational method for the evaluation of highly resolved dos functions from APS measurements
| Autor: | R. Gmeiner, H.-U. Chun, S. W. Schulz, K.-Th. Schleicher |
|---|---|
| Rok vydání: | 1983 |
| Předmět: |
Radiation
Materials science Spectrum (functional analysis) chemistry.chemical_element Condensed Matter Physics Data treatment Signal Atomic and Molecular Physics and Optics Spectral line Electronic Optical and Magnetic Materials Computational physics Condensed Matter::Materials Science Ferromagnetism chemistry Position (vector) Computational chemistry Condensed Matter::Strongly Correlated Electrons Physical and Theoretical Chemistry Cobalt Spectroscopy |
| Zdroj: | Journal of Electron Spectroscopy and Related Phenomena. 31:33-56 |
| ISSN: | 0368-2048 |
| DOI: | 10.1016/0368-2048(83)85012-9 |
| Popis: | A new computational procedure for evaluation of the density of unoccupied states from appearance-potential spectra is described. The data treatment is based on least-squares methods using quadratic spline functions and on a rigorous consideration of the different contributions to the appearance-potential signal. It is shown that certain physical, experimental and computational requirements have to be met in order to obtain highly resolved and reliable results. The performance of the computational procedure is demonstrated by application to a synthesized spectrum of iron and to a realistic appearance-potential spectrum of polycrystalline ferromagnetic cobalt. In particular, it is shown that this method provides more detailed information concerning the unoccupied states than previous studies. The position of the unoccupied d -band maximum in cobalt at 0.55 ± 0.15 eV does not agree with any of the greatly differing theoretical calculations in the literature. |
| Databáze: | OpenAIRE |
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