Sound velocities in solid hydrogen under pressure

• Veröffentlicht in: Физика низких температур
• Datum: 2013
• Hauptverfasser: Freiman, Yu.A., Grechnev, Alexei, Tretyak, S.M., Goncharov, Alexander F., Hemley, Russell J.
• Format: Artikel
• Sprache: Englisch
• Veröffentlicht: Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України 2013
• Schlagworte: 9th International Conference on Cryocrystals and Quantum Crystals
• Online Zugang: https://nasplib.isofts.kiev.ua/handle/123456789/118450
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Zitieren: 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.

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.