Journal
PHYSICAL REVIEW LETTERS
Volume 102, Issue 12, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.102.125702
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Funding
- Engineering and Physical Sciences Research Council (EPSRC) of the UK
- Engineering and Physical Sciences Research Council [EP/G007489/2, EP/F032773/1] Funding Source: researchfish
- EPSRC [EP/F032773/1, EP/G007489/2] Funding Source: UKRI
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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.
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