High-Pressure Phases of Nitrogen
- 27 March 2009
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 102 (12), 125702
- https://doi.org/10.1103/physrevlett.102.125702
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.Keywords
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