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XANES and Unoccupied DOS of Sulfides and Selenides of Zn and Cd
Author(s) -
Gabrelian B. V.,
Lavrentyev A. A.,
Nikiforov I.Ya.
Publication year - 1999
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(199910)215:2<1041::aid-pssb1041>3.0.co;2-n
Subject(s) - xanes , spectral line , scattering , spectroscopy , chemistry , sulfur , crystal (programming language) , crystallography , spectrograph , atomic physics , materials science , analytical chemistry (journal) , physics , optics , quantum mechanics , chromatography , computer science , organic chemistry , programming language
The compounds of type A II B VI (A = Zn, Cd; B = S, Se) with zincblende structure have been investigated both experimentally by X‐ray spectroscopy and theoretically by two different approaches: the high order multiple scattering (FEFF7 code) and the full multiple scattering approximation using the method of the local coherent potential. The XANES of K‐spectra of sulfur in cubic modification of ZnS and CdS have been obtained with X‐ray Johann spectrograph, but the L 2,3 ‐spectra of sulfur and K‐spectra of Zn and Se in ZnSe and ZnS were taken from the literature. The experimental spectra have been compared with the calculated curves of the density of unoccupied electron states. Calculations were performed with the crystal potentials of the FEFF code. The forms of calculated curves agree well with the experimental spectra. A satisfactory correspondence of the theory to the experiment has been obtained.