Hindered rotation of diatomic molecules in an hcp lattice

Abstract

The spectra of the hindered rotation of diatomic molecules in an atomic hcp lattice with an arbitrary ratio c/a of lattice constants is calculated. We determine the contribution of the hindered rotation of impurity molecules to the heat capacity and the thermal expansion of the solid solutions. We come to the conclusion that the motion of rotators in an hcp lattice is freer than it is in an fcc lattice. Comparison with the experimental data on the heat capacity and thermal expansion for solid solutions of N2 and CO in Ar and Kr indicates that these solid solutions have an fcc structure at low temperatures.

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DOI

10.1063/10.0031654

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