Physics – Condensed Matter – Materials Science
Scientific paper
2003-02-25
Physics
Condensed Matter
Materials Science
4 figures
Scientific paper
10.1103/PhysRevLett.91.265503
Using first principles simulations we have investigated the structural and bonding properties of dense fluid oxygen up to 180 GPa. We have found that band gap closure occurs in the molecular liquid, with a "slow" transition from a semi-conducting to a poor metallic state occurring over a wide pressure range. At approximately 80 GPa, molecular dissociation is observed in the metallic fluid. Spin fluctuations play a key role in determining the electronic structure of the low pressure fluid, while they are suppressed at high pressure.
Galli Giulia
Gygi Francois
Militzer Burkhard
No associations
LandOfFree
Structure and bonding of dense liquid oxygen from first principles simulations 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 Structure and bonding of dense liquid oxygen from first principles simulations, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Structure and bonding of dense liquid oxygen from first principles simulations will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-482557