Pickard, CJ;
Needs, RJ;
(2009)
High-Pressure Phases of Nitrogen.
PHYS REV LETT
, 102
(12)
, Article 125702. 10.1103/PhysRevLett.102.125702.
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Abstract
Density-functional-theory calculations and a structure-searching method are used to identify candidate high-pressure phases of nitrogen. We find six structures which are calculated to be more stable than previously studied structures at some pressures. Our four new molecular structures give insight into the most efficient packings of nitrogen molecules at high pressures, and we predict two new nonmolecular structures to be stable at very high pressures.
| Type: | Article |
|---|---|
| Title: | High-Pressure Phases of Nitrogen |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevLett.102.125702 |
| Publisher version: | http://dx.doi.org/10.1103/PhysRevLett.102.125702 |
| Language: | English |
| Additional information: | © 2009 The American Physical Society |
| Keywords: | POLYMERIC NITROGEN, TRANSFORMATION, HYDROGEN, GPA |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/170185 |
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