Elastic properties of compressed rare-gas crystals in a model of deformable atoms

Abstract

The elastic properties of compressed Ne, Ar, Kr, and Xe rare-gas crystals were studied in a model of deformable and polarizable atoms. The second-order Fuchs elasticity moduli, their pressure derivatives, and the Zener elastic anisotropy ratio were calculated with allowance for three-body interaction and quadrupole deformation in electron shells within a wide pressure range. Comparison with the experiment and results of other authors was performed. In xenon at a compression of 0.6, the shear modulus B₄₄ was observed to become zero, thus corresponding to the FCC–HCP transition at 75 GPa.