Effects of rotational states on the ratio in solid hydrogens
- National Academy of Sciences of Ukraine, Kharkov (Ukraine); Carnegie Institution of Washington, Washington, D.C. (United States)
- Carnegie Institution of Washington, Washington, D.C. (United States)
We propose an approach to the problem of lattice distortions at low temperatures and ambient pressure in the solid hydrogens in their rotational ground states that explicitly accounts for the molecular nature of the constituent particles. The model is based on the idea that the second-order rotation-related correction to the ground-state energy depends on the lattice parameters. The calculated ground-state rotation-related contributions, δgs = c/a–(8/3)1/2, are negative for all species, amounting to about –1.5×10–5 for H2 and D2, whereas for HD this contribution is about –0.6×10–3, which is roughly 50 times larger. This substantial difference stems from the fact that the rotational dynamics in the homonuclear solids and in HD differ appreciably. Furthermore, the approach can be generalized to high pressures.
- Research Organization:
- Carnegie Institution of Washington, Washington, D.C. (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- NA0002006; SC0001057; NA-00006; SC-0001057
- OSTI ID:
- 1335674
- Alternate ID(s):
- OSTI ID: 1179360
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 91, Issue 14; ISSN 1098-0121
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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