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arXiv · 0911.5600

Lattice distortion in hcp rare gas solids

A. Grechnev·S. M. Tretyak·Yu. A. Freiman
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Abstract

The lattice distortion parameter $δ\equiv c/a-\sqrt{8/3}$ has been calculated as a function of molar volume for the hcp phases of He, Ar, Kr and Xe. Results from both semi-empirical potentials and density functional theory are presented. Our study shows that $δ$ is negative for helium in the entire pressure range. For Ar, Kr and Xe, however, $δ$ changes sign from negative to positive as the pressure increases, growing rapidly in magnitude at higher pressures.

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A. Grechnev, S. M. Tretyak, Yu. A. Freiman. 2009-11-30. Lattice distortion in hcp rare gas solids. https://doi.org/10.1063/1.3414347

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