0000000000733034
AUTHOR
Alexei Grechnev
Raman scattering in hcp rare gas solids under pressure
We present Raman measurements of hcp rare gas solids (RGSs) at megabar pressures together with lattice dynamics calculations. The ${E}_{2g}$ phonon was measured in Xe up to metallization near 135 GPa and in Ar up to 58 GPa. A comparative analysis of first-principles and semiempirical calculations shows that three-body forces contribute to the energetics at low pressures and that at volume compressions greater than $\ensuremath{\sim}2.6$ higher-order many-body forces become important. The distinct behavior of He under pressure relative to that of the rest of the RGS family is discussed.
Lattice distortion of hcp solid helium under pressure
The lattice distortion of hcp solid He under pressure is calculated using semiempirical and first-principle approaches. While three-body forces tend to flatten the lattice at all compressions, the effect of pair forces changes from the flattening at small compression to elongation at large one. At large compressions, the lattice distortion due to the triple forces is more than twice as large as those due to pair forces and the lattice is slightly flattened. First-principles results show that over approximately fivefold compressions higher-order, many-body forces become important.