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XPS and theoretical studies of the electronic structure of FeX and NiX (X = Al, Si, P)
Author(s) -
Shabanova I. N.,
Mitrochin Y. S.,
Terebova N. S.,
Nebogatikov N. M.
Publication year - 2002
Publication title -
surface and interface analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.52
H-Index - 90
eISSN - 1096-9918
pISSN - 0142-2421
DOI - 10.1002/sia.1370
Subject(s) - x ray photoelectron spectroscopy , chemistry , spectral line , tin , electronic structure , electron , stoichiometry , valence (chemistry) , valence electron , binding energy , atomic physics , density of states , analytical chemistry (journal) , crystallography , condensed matter physics , computational chemistry , physics , nuclear magnetic resonance , quantum mechanics , organic chemistry , chromatography
For the stoichiometric compounds FeX and NiX (X = Si, Al, P) the x‐ray photoelectron spectra of valence bands are obtained and calculations of their electronic structure are carried out by the tight‐binding linear muffin‐tin orbital atomic sphere approximation method (TB‐LMTO‐ASA). A satisfactory agreement between the x‐ray photoelectron spectra and the calculated density‐of‐states curves is obtained. It is shown that with an increase of the second‐component p‐electrons, hybridization of d(metal) and p(X) electrons decreases, the probability of d–p resonance increases and the contribution of p(X) states near E f increases. Copyright © 2002 John Wiley & Sons, Ltd.