Dynamical studies of mixed rare-gas clusters: Collision-induced absorption in(Ne)n−(Ar)m(n+m<~100)

Abstract

Collision-induced absorption spectra for mixed neon-argon clusters are investigated in the temperature range from 1 K to 250 K using classical molecular dynamics simulations. With increasing cluster size the spectra reproduce the results known from experiment. For smaller clusters $(n+m\ensuremath{\approx}10),$ the simulated spectra depend strongly on the composition of the clusters. Pairwise, Ne-Ne, Ne-Ar, and Ar-Ar interactions designed to accurately describe macroscopic and microscopic properties are used. The influence of two different parametrizations of the dipole moment function is investigated and discussed. For the largest clusters $({\mathrm{Ne}}_{10}{\mathrm{Ar}}_{90}),$ the maximum intensity of the collision-induced infrared spectrum as a function of the temperature closely follows the experimental observations.