Crystal field and related phenomena in hexagonal close-packed H2 and D2 under pressure
Materials Science
2014-01-24 v1
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.
Keywords
Cite
@article{arxiv.1401.5928,
title = {Crystal field and related phenomena in hexagonal close-packed H2 and D2 under pressure},
author = {Yu. A. Freiman and S. M. Tretyak and Alexei Grechnev and Alexander F. Goncharov and Russell J. Hemley},
journal= {arXiv preprint arXiv:1401.5928},
year = {2014}
}