| Issue |
J. Phys. IV France
Volume 7, Number C2, Avril 1997
Proceedings of the 9th International Conference on X-Ray Absorption Fine Structure
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| Page(s) | C2-1173 - C2-1174 | |
| DOI | https://doi.org/10.1051/jp4:19972179 | |
Proceedings of the 9th International Conference on X-Ray Absorption Fine Structure
J. Phys. IV France 7 (1997) C2-1173-C2-1174
DOI: 10.1051/jp4:19972179
1 Graduate School of Science, Osaka University, Toyonaka 560, Japan
2 Faculty of Science, Okayama University, Okayama 700, Japan
3 Faculty of Engineering, Okayama University, Okayama 700, Japan
© EDP Sciences 1997
J. Phys. IV France 7 (1997) C2-1173-C2-1174
DOI: 10.1051/jp4:19972179
Anharmonic Effective Pair Potentials of KBr and CsBr Determined by EXAFS
A. Yoshiasa1, O. Kamishima2, A. Nakatsuka1, T. Ishii3 and H. Maeda21 Graduate School of Science, Osaka University, Toyonaka 560, Japan
2 Faculty of Science, Okayama University, Okayama 700, Japan
3 Faculty of Engineering, Okayama University, Okayama 700, Japan
Abstract
The anharmonic effective pair potentials V(u)=αu2+βu3/3!+γu4/4! in KBr and CsBr have been investigated at room
temperature by the EXAFS technique. In the parameter fitting, we have directly carried out the numerical integration of EXAFS
function and evaluated the anharmonic effective pair potential. The Grüneisen parameters γGwere calculated from the obtained
values of α and β as 1.65 for KBr and 1.37 for CsBr, respectively. Contribution of the van der Waals term to the total energy
has been determined by comparing with the calculated curve obtained by the empirical estimation, and rises from 1.8 % for
KBr to 3.0 % for CsBr.
© EDP Sciences 1997