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An improved EXAFS‐function calculation procedure for materials with small interatomic separation
Author(s) -
Macovei D.,
Păuşescu P.,
Grigorovici R.,
Mănăilă R.
Publication year - 1982
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889882011327
Subject(s) - extended x ray absorption fine structure , atom (system on chip) , fourier transform , absorption (acoustics) , shell (structure) , absorption edge , function (biology) , chemistry , absorption spectroscopy , platinum , molecular physics , atomic physics , materials science , optics , physics , condensed matter physics , quantum mechanics , biochemistry , evolutionary biology , band gap , computer science , composite material , biology , embedded system , catalysis
The extended structure of the Pt L 3 X‐ray absorption edge for some platinum compounds was measured and Fourier inverted. It is shown that the way in which the contribution of the isolated atom is subtracted from the absorption spectrum may influence the shape of the first peak in the Fourier transform and possibly lead to erroneous structural interpretations concerning the first‐neighbour shell of the absorbing atom. These errors are the more important the smaller the separation between the absorbing atom and its nearest neighbours. An improved method of subtraction of the isolated‐atom absorption is proposed and checked.