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arXiv · 1401.5928

Crystal field and related phenomena in hexagonal close-packed H2 and D2 under pressure

Yu. A. Freiman·S. M. Tretyak·Alexei Grechnev·Alexander F. Goncharov·Russell J. Hemley
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Abstract

The lattice distortion parameter (the deviation of the c/a ratio from the ideal value 1.633), orientational order parameter, and crystal-field parameter in hexagonal close-packed (hcp) lattice of p-H2, o-D2 and n-H2 are calculated using the semi-empirical lattice-dynamic approach. It is shown that the lattice distortion in the J-even species is two order of magnitude smaller compared with that found in n-H2, and n-D2. The difference is due to the splitting of the J-odd rotational levels in the J-even - J-odd mixtures.

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Yu. A. Freiman, S. M. Tretyak, Alexei Grechnev, Alexander F. Goncharov, Russell J. Hemley. 2014-01-23. Crystal field and related phenomena in hexagonal close-packed H2 and D2 under pressure. https://arxiv.org/abs/1401.5928

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