J. Phys. IV France 7 (1997) C2-245-C2-246
Radial Distribution Function in Solid and Liquid KBr Probed by EXAFSA. Di Cicco1, M. Rosolen1, R. Tossici2, R. Marassi2 and J. Rybick3
1 Bipartimento di Matematica e Fisica, Università di Camerino, Via Madonna delle Carceri, 62032 Camerino (MC), Italy
2 Università di Camerino, 62032 Camerino (MC), Italy
3 Fac of Tech. Phys. and Appl. Math., Tech. University of Gdansk, Naturowicza 11/12, 80-952 Gdansk Poland
Accurate EXAFS spectra of solid and molten KBr are analyzed using the "GNXAS" multiple-scattering method. Shoit-iange radial distribution functions derived by EXAFS aie compared with results of molecular dynamics (MD) simulations. Important anharmonic effects are found in solid KBr, in agreement with MD calculations. Local structure of liquid KBr is measured and compared with MD results for the first time.
© EDP Sciences 1997