Sound velocities in solid hydrogen under pressure
We present results of semi-empirical lattice dynamics calculations of the sound velocities in solid hydrogen under pressure based on the many-body intermolecular potential and first-principle density-functional theory (DFT). Both the sound velocities and elastic moduli are in excellent agreement w...
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| Опубліковано в: : | Физика низких температур |
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| Дата: | 2013 |
| Автори: | , , , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2013
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| Теми: | |
| Онлайн доступ: | https://nasplib.isofts.kiev.ua/handle/123456789/118450 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Sound velocities in solid hydrogen under pressure / Yu.A. Freiman, Alexei Grechnev, S.M. Tretyak, Alexander F. Goncharov, Russell J. Hemley // Физика низких температур. — 2013. — Т. 39, № 5. — С. 548–551. — Бібліогр.: 46 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| Резюме: | We present results of semi-empirical lattice dynamics calculations of the sound velocities in solid hydrogen under
pressure based on the many-body intermolecular potential and first-principle density-functional theory (DFT).
Both the sound velocities and elastic moduli are in excellent agreement with data from Brillouin scattering measurements
while Silvera–Goldman and Hemley–Silvera–Goldman potentials tend to overestimate the sound velocity.
It is shown that the stiffer is the potential the greater is overestimated the sound velocity. As was the case for equation
of state and Raman-active lattice phonon calculations, the employed many-body potential works well for
phases I and II (up to ~ 140 GPa while for higher pressures the use of the DFT is preferable.
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| ISSN: | 0132-6414 |