Simulating solid dielectrics using Monte-Carlo-methods

Dielectric properties are strongly influenced by electrostatic interaction between dipoles which can be simulated numerically. In this way, we can calculate the polarization as a function of electric field, temperature, and time. In order to get a function of time, we have to carry out a dynamic Monte-Carlo-simulation (d-MCS) whereas a static Monte-Carlo-simulation (s-MCS) is sufficient to get equilibrium values. Considering a system of permanent dipoles, we calculate the polarization versus time and the polarization versus applied electric field with respect to certain parameters. We calculate both with and without dipole-dipole interaction. In addition, we compare the results of our d-MCS with the output of the s-MCS. Due to the dipolar interaction, we find a broadened P(t)-response compared to the curve without interaction.