Sound velocities of hexagonal close-packed H-2 and He under pressure

Article

关键词: EQUATION-OF-STATE;    X-RAY-DIFFRACTION;    SHORT-RANGE CORRELATIONS;    SOLID HYDROGEN;    ELASTIC-CONSTANTS;    LATTICE-DYNAMICS;    DENSE HYDROGEN;    PHASE-DIAGRAM;    FCC HELIUM;    HCP HE-4;   

DOI  :  10.1103/PhysRevB.88.214501

来源: SCIE

【 摘 要 】

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: semiempirical 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 the pressure dependence of the Debye temperature. The comparisons between experiment and first-principles and semiempirical calculations provide constraints on the density dependence of intermolecular interactions in the zero-temperature limit.

【 授权许可】

Free