Abstract
AbstractMixtures of carbon dioxide and krypton gases were codeposited from the gas phase. The resulting solids were studied by X‐ray powder diffraction and IR absorption. Molecular dynamics simulation was applied to the system.Under equilibrium conditions phase separation occurs. If diffusion is suppressed, solids with extremely short coherence lengths were found in the concentration range of 30–70 mol% Kr. The simulation allows to reproduce this disorder. It is due to internal distortions rather than to grain size effects. The addition of krypton reduces the quadrupole‐quadrupole interaction. This leads to orientational and to centre‐of‐gravity disorder. The properties of CO2: Kr are discussed in comparison with the well known quadrupole glass N2: Ar. For the molecular dynamics simulation a flexible model of the CO2 was adopted. This allowed to reproduce the influence of the local environment on the band shape of the bending mode v2.
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