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arXiv · 1203.0672

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

Yu. A. Freiman·Alexei Grechnev·S. M. Tretyak·Alexander F. Goncharov·Russell J. Hemley
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Abstract

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.

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Yu. A. Freiman, Alexei Grechnev, S. M. Tretyak, Alexander F. Goncharov, Russell J. Hemley. 2012-03-03. Equation of state and Raman-active $E_{2g}$ lattice phonon in phases I, II, and III of solid hydrogen and deuterium. https://doi.org/10.1103/physrevb.86.014111

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