Quasi-molecular and atomic phases of dense solid hydrogen

Details Quasi-molecular and atomic phases of dense solid hydrogen Quasi-molecular and atomic phases of dense solid hydrogen

2011-12-06

arxiv.org/abs/1112.1174v2

Physics

Condensed Matter

Materials Science

accepted in The Journal of Physical Chemistry

Scientific paper

10.1021/jp301596v

The high-pressure phases of solid hydrogen are of fundamental interest and relevant to the interior of giant planets; however, knowledge of these phases is far from complete. Particle swarm optimization (PSO) techniques were applied to a structural search, yielding hitherto unexpected high-pressure phases of solid hydrogen at pressures up to 5 TPa. An exotic quasi-molecular mC24 structure (space group C2/c, stable at 0.47-0.59 TPa) with two types of intramolecular bonds was predicted, providing a deeper understanding of molecular dissociation in solid hydrogen, which has been a mystery for decades. We further predicted the existence of two atomic phases: (i) the oC12 structure (space group Cmcm, stable at > 2.1 TPa), consisting of planar H3 clusters, and (ii) the cI16 structure, previously observed in lithium and sodium, stable above 3.5 TPa upon consideration of the zero-point energy. This work clearly revised the known zero-temperature and high-pressure (>0.47 TPa) phase diagram for solid hydrogen and has implications for the constituent structures of giant planets.

Affiliated with

Also associated with

No associations

Rating

Quasi-molecular and atomic phases of dense solid hydrogen does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Quasi-molecular and atomic phases of dense solid hydrogen, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Quasi-molecular and atomic phases of dense solid hydrogen will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-380369