Sound velocities of hexagonal close-packed H2 and He under pressure

Abstract

Bulk, shear, and compressional aggregate sound velocities of hydrogen and helium in the close- packed hexagonal structure are calculated over a wide pressure range using two complementary approaches: semi-empirical lattice dynamics based on the many-body intermolecular potentials and density-functional theory in the generalized gradient approximation. The sound velocities are used to calculate pressure dependence of the Debye temperature. The comparison between experiment and first-principle and semi-empirical calculations provide constraints on the density dependence of intermolecular interactions in the zero-temperature limit.

arXiv commentSubmitted to Phys. Rev. B

References in corpus (9)

• First-Principles Elastic Constants for the hcp Transition Metals Fe, Co, and Re at High Pressure
• Low Temperature Shear Modulus Changes in Solid 4-He and Connection to Supersolidity
• Quantum and Classical Orientational Ordering in Solid Hydrogen
• Spectroscopic Studies of the Vibrational and Electronic Properties of Solid Hydrogen to 285 GPa
• Zero-temperature equation of state of solid 4He at low and high pressures
• Dislocation Mobility in a Quantum Crystal: the Case of Solid 4He
• The elastic constants of solid 4He under pressure: a diffusion Monte Carlo study
• Lattice distortion in hcp rare gas solids
• Equation of state and Raman-active $E_{2g}$ lattice phonon in phases I, II, and III of solid hydrogen and deuterium

Cited by in corpus (2)

• Simulation and understanding of quantum crystals
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