Tuesday, March 6, 2012

1203.0672 (Yu. A. Freiman et al.)

Equation of state and Raman-active $E_{2g}$ lattice phonon in phases I,
II, and III of solid hydrogen and deuterium
   [PDF]

Yu. A. Freiman, Alexei Grechnev, S. M. Tretyak, Alexander F. Goncharov, Russell J. Hemley
We present results of lattice dynamics calculations of the $P-V$ equation of state and the pressure dependence of the Raman-active $E_{2g}$ lattice phonon for $p-$H$_2$ and $o-$D$_2$ in a wide pressure range up to $\sim$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.
View original: http://arxiv.org/abs/1203.0672

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