Open AccessXANES studies of Fe‐bearing glasses
Author(s) -
Wu Z.,
BonninMosbah M.,
Duraud J. P.,
Métrich N.,
Delaney J. S.
Publication year - 1999
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049598015969
Subject(s) - xanes , bearing (navigation) , materials science , computer science , physics , spectroscopy , quantum mechanics , artificial intelligence
(1982); Lee & Beni, 1977; Bianconi, 1988; Durham, 1988; Rehr et al. 1992; Wu et al. 1992, 1996a, 1996b, 1997). We have used the Mattheiss prescription (Mattheiss, 1964) to construct the cluster electronic density and the Coulomb part of the potential by superposition of neutral atomic charge densities obtained from the Clementi-Roetti tables (Clementi & Roetti, 1974). For the exchange-correlation part of the potential, we have used the optical energyand position-dependent Hedin-Lundquist (H-L) potential. The calculated spectra are further convoluted with a lorentzian function with a full width F=2.0 eV to account for the core hole lifetime and experimental resolution.