Electronic properties of CdSe and Cd1-xFexSe wurtzite compounds: theoretical ab-initio investigation

Authors
Konior, J Goniakowski, J Kaprzyk, S
Citation
J. Konior et al., Electronic properties of CdSe and Cd1-xFexSe wurtzite compounds: theoretical ab-initio investigation, J ALLOY COM, 328(1-2), 2001, pp. 139-142
Citations number
15
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF ALLOYS AND COMPOUNDS
ISSN journal
09258388 → ACNP
Volume
328
Issue
1-2
Year of publication
2001
Pages
139 - 142
Database
ISI
SICI code
0925-8388(20011004)328:1-2<139:EPOCAC>2.0.ZU;2-C
Abstract
The electronic properties of CdSe and Cd1-xFexSe (represented by CdFeSe2, C d3FeSe4 and Cd7FeSe8) wurtzite crystals have been determined by a self-cons istent local-density-approximation based method. Namely, the theoretical re sults were obtained by using the linearized augmented plane wave (LAPW) met hod, with the local density approximation for the exchange and correlation potentials. The densities of states, magnetic moments and the theoretical X -ray absorption spectra have been found. The obtained results form the basi s for subsequent analysis of the XANES results. (C) 2001 Elsevier Science B .V. All rights reserved.