J. Phys. IV France 7 (1997) C2-1175-C2-1176
EXAFS Study on the Anharmonic Effective Pair Potential in Rutile Type, α-Quartz Type and Vitreous GeO2Y. Yashiro1, A. Yoshiasa1, O. Kamishima2, T. Tsuchiya1, T. Yamanaka1, T. Ishii3 and H. Maeda2
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
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