Open AccessNatural linear dichroism in pyrite (FeS 2 ): experiments and calculations
Author(s) -
Cabaret Delphine,
Brouder Christian,
Arrio MarieAnne,
Sainctavit Philippe,
Joly Yves,
Rogalev Andrei,
Goulon José
Publication year - 2001
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/s0909049500016861
Subject(s) - pyrite , natural (archaeology) , chemistry , computational chemistry , crystallography , materials science , mineralogy , geology , paleontology
Electric quadrupole transitions are revealed through the angular dependence of X‐ray absorption spectra in a cubic crytal. Data collection was achieved at the iron K ‐edge in pyrite (FeS 2 ) by using the angular moment method developed for X‐ray Natural Circular Dichoism (XNCD) measurements. The natural linear dichroism (XNLD) was found to be around 0.5% of the edge jump. Experimental results are compared with monelectronic and multilectronic calculations. Calculations allow to quantitatively determine the proportion of quadrupolar transitions in the pre‐edge structure and the anisotropy is explained in terms of structural and electronic parameters.