| Issue |
Europhys. Lett.
Volume 68, Number 5, December 2004
|
|
|---|---|---|
| Page(s) | 664 - 670 | |
| Section | Condensed matter: structure, mechanical and thermal properties | |
| DOI | https://doi.org/10.1209/epl/i2004-10256-8 | |
| Published online | 29 October 2004 | |
The 
structure in highly compressed hydrogen
and the orientational transition
1
ISC-CNR - via della Madonna del piano, I-50019 Sesto Fiorentino, Italy
2
Dipartimento di Fisica, Università di Firenze via G. Sansone 1, I-50019 Sesto Fiorentino, Italy
3
INFM, Unità di Firenze - Via Giovanni Sansone 1, I-50019 Sesto Fiorentino, Italy
Corresponding authors: grazzi@ifac.cnr.it moraldi@fi.infn.it ulivi@ifac.cnr.it
Received:
2
June
2004
Accepted:
7
October
2004
A calculation of the rotational 
frequencies in
high-pressure solid para-hydrogen is performed. Convergence
of the perturbative series at high density is demonstrated by
the calculation of second- and third-order terms. The results
of the theory are compared with the available experimental
data to derive the density behaviour of structural
parameters. In particular, a strong increase of the value of
the lattice constant ratio 
and of the internuclear
distance is determined. Also a decrease of the anisotropic
intermolecular potential is observed which is attributed to
charge transfer effects. The structural parameters
determined at the phase transition may be used to calculate
quantum properties of the rotationally ordered phase.
PACS: 62.50.+p – High-pressure and shock wave effects in solids and liquids / 78.30.-j – Infrared and Raman spectra / 34.20.-Gj – Atomic and molecular collision processes and interaction: Intermolecular and atom-molecule potentials and forces
© EDP Sciences, 2004
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