期刊
PHYSICAL REVIEW LETTERS
卷 102, 期 12, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.102.125702
关键词
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资金
- 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
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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