THE ELECTRONIC-STRUCTURE OF FCC FE CONTAINING N AND C IMPURITIES

Authors
GAVRILJUK VG KUCHERENKO YN MORAVETSKI VI NADUTOV VM SHELUDCHENKO LM
Citation
Vg. Gavriljuk et al., THE ELECTRONIC-STRUCTURE OF FCC FE CONTAINING N AND C IMPURITIES, Journal of physics and chemistry of solids, 55(11), 1994, pp. 1181-1187
Citations number
14
Categorie Soggetti
Physics, Condensed Matter",Chemistry
Journal title
Journal of physics and chemistry of solids → ACNP
ISSN journal
00223697
Volume
55
Issue
11
Year of publication
1994
Pages
1181 - 1187
Database
ISI
SICI code
0022-3697(1994)55:11<1181:TEOFFC>2.0.ZU;2-9
Abstract
The energy and spatial distribution of valence electrons in A Fe6Fe8 c lusters (where A denotes an empty interstice, C or N) are calculated u sing the self-consistent scattered-wave method. On the basis of the ca lculated results, the changes in the local electronic charge on Fe sit es caused by the presence of an impurity are analysed, and the influen ce of the Fe valence electron configuration on the value of the isomer shift in Mossbauer spectra is investigated.