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Journal of Electron Microscopy 48(5): 525-529 (1999)
© 1999 Oxford University Press

On extended energy-loss fine structure data analysis for obtaining reliable structural parameters

Yumiko Kobayashi, Shunsuke Muto1,*, Charles J. Echer2 and Tetsuo Tanabe1

Department of Nuclear Engineering, Graduate School of Engineering, Nagoya University Furo-cho, Chikusa-ku, Nagoya 464–8603, Japan
1Center for Integrated Research in Science and Engineering, Nagoya University Furo-cho, Chikusa-ku, Nagoya 464–8603, Japan
2National Center for Electron Microscopy, Lawrence Berkeley Laboratory 1 Cyclotron Road, Berkeley, CA 94720, USA

*To whom correspondence should be addressed. E-mail: muto{at}cirse.nagoya-u.ac.jp

We examined extended energy-loss fine structure (EXELFS) data analysis for obtaining reliable values of structural parameters, and its practical guidelines are presented. We found that the ratio method is unstable and gives reliable results only when the calculated radial distribution function shows good peak separation, whereas the curve-fitting is rather robust for the quantitative analysis. We introduced a simple optimization method to avoid the instability associated with the ratio method so that two experiments on the same area at different temperatures should give the same coordination number. The coordination number and Debye-Waller factor derived from the area having different thickness resulted in the same values within the experimental accuracy up to the thickness of 0.4 {lambda}. ({lambda}: plasmon mean free path), while the inter-atomic distance was linearly decreased with sample thickness also up to that thickness. This suggests that EXELFS experiments must be conducted for sample thickness <0.4 {lambda}.

Keywords     Debye-Waller factor, EXELFS, inter-atomic distance, radial distribution function

Received     16 October 1998, accepted 14 June 1999


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