Szczegóły publikacji
Opis bibliograficzny
Electronic structure of a $\sigma$-${FeCr}$ compound / J. CIEŚLAK, J. TOBOŁA, S. M. DUBIEL, S. KAPRZYK, W. Steiner, M. Reissner // Journal of Physics : Condensed Matter ; ISSN 0953-8984. — 2008 — vol. 20 iss. 23 art. no. 235234, s. 1–6. — Bibliogr. s. 6, Abstr. — Publikacja dostępna online od: 2008-05-09
Autorzy (6)
- AGHCieślak Jakub
- AGHToboła Janusz Stefan
- AGHDubiel Stanisław Mieczysław
- AGHKaprzyk Stanisław
- Steiner Walter
- Reissner Michael
Dane bibliometryczne
| ID BaDAP | 38965 |
|---|---|
| Data dodania do BaDAP | 2008-05-15 |
| Tekst źródłowy | URL |
| DOI | 10.1088/0953-8984/20/23/235234 |
| Rok publikacji | 2008 |
| Typ publikacji | artykuł w czasopiśmie |
| Otwarty dostęp |  |
| Czasopismo/seria | Journal of Physics-Condensed Matter |
Abstract
The electronic structure of a sigma-FeCr compound in a paramagnetic state was calculated for the first time in terms of isomer shifts and quadrupole splittings. The former were calculated using the charge self-consistent Korringa-Kohn-Rostoker (KKR) Green's function technique, while the latter were estimated from an extended point charge model. The calculated quantities combined with recently measured site occupancies were successfully used to analyze a Mossbauer spectrum recorded at room temperature using only five fitting parameters namely background, total intensity, linewidth, ISO (necessary to adjust the refined spectrum to the used Mossbauer source) and the QS proportionality factor. Theoretically determined changes of the isomer shift for the sigma-FeCr sample were found to be in line with the corresponding ones measured on a alpha-FeCr sample.
