| 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) | C2-1175 - C2-1176 | |
| DOI | https://doi.org/10.1051/jp4:19972180 | |
Proceedings of the 9th International Conference on X-Ray Absorption Fine Structure
J. Phys. IV France 7 (1997) C2-1175-C2-1176
DOI: 10.1051/jp4:19972180
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) C2-1175-C2-1176
DOI: 10.1051/jp4:19972180
EXAFS Study on the Anharmonic Effective Pair Potential in Rutile Type, α-Quartz Type and Vitreous GeO2
Y. Yashiro1, A. Yoshiasa1, O. Kamishima2, T. Tsuchiya1, T. Yamanaka1, 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 pair potentials of Ge-O bonds in rutile type, α-quartz type and vitreous GeO2 have been investigated by the EXAFS
technique from 10 K to 1000 K. An anharmonic effective pair potential for Ge-O bond has been dertermined by the numerical
integration of EXAFS fanction with amussing the classical Boltzmann distribution. The radial distributions of Ge-O in α-quartz type
obtained from EXAFS and our molecular dynamics (MD) simulation agree well with each other. The pair potential of Ge-O bond is
not noticably changed with structural transformation, except for the four coplanar Ge-O bonds in the rutile type structure.
© EDP Sciences 1997