Equation of state and Raman-active E₂g lattice phonon in phases I, II, and III of solid hydrogen and deuterium

الأصل · EN

We present results of lattice dynamics calculations of the P-V equation of state and the pressure dependence of the Raman-active E₂g lattice phonon for p-H₂ and o-D₂ in a wide pressure range up to 2 Mbar using our recently developed semi-empirical many-body potential, and density-functional theory. Comparison with existing body of experimental and theoretical results showed that the employed many-body potential is a reliable basis for high-precision calculations for phases I, II, and III of solid hydrogens.