Fabrizio Gangemi — Università degli Studi di Brescia #
Agreement of classical Kubo theory with the infrared dispersion curves of ionic crystals #
The dispersion curves $n(\omega)$ (refractive index vs frequency) of ionic crystals in the infrared are calculated by means of the Green-Kubo theory, in terms of a time correlation function involving the motions of the ions only.
The aim of the study is to investigate how well the experimental data are reproduced by a classical approximation of the theory, in which the time correlation functions are expressed in terms of the ion orbits, obtained by molecular-dynamics simulations. We report the results for a LiF lattice of 4096 ions. The theoretical curves are in surprisingly good agreement with experimental data.
In collaboration with: A. Carati, G. Galgani, R. Gangemi, and A. Maiocchi