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Improved Calculations of Phase Shifts for EXAFS Spectroscopy
Author(s) -
Ghatikar M. N.,
Mahesh K. V. S.,
Bhatia S. N.
Publication year - 1990
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/pssb.2221590204
Subject(s) - formalism (music) , extended x ray absorption fine structure , spectroscopy , spectral line , plane wave , amorphous solid , phase (matter) , atomic physics , chemistry , materials science , analytical chemistry (journal) , absorption spectroscopy , physics , optics , crystallography , quantum mechanics , art , musical , chromatography , visual arts
The full curved wave formalism is used to calculate the phase shifts for the pairs FeCo, CoZr, and FeZr in the Fe 54 Co 36 Zr 10 amorphous system. The estimated phase shifts are compared with those obtained from the plane wave approximation and the important differences in the region of low k ‐values are discussed. The comparison with the experimental phase shift functions obtained from the measured EXAFS spectra establish the improvement in the accuray of the calculated phase shifts using the curved wave formalism.