Journal
PHYSICAL REVIEW LETTERS
Volume 102, Issue 6, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.102.065501
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Funding
- China 973 Program [2005CB724400]
- National Natural Science Foundation of China [10874054]
- NSAF of China [10676011]
- Cheung Kong Scholars Programme of China
- Swiss National Science Foundation [200021-111847/1]
- Deutsche Forschungsgemeinschaft [AL578/3-1]
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The search for the stable monatomic forms of solid nitrogen is of great importance in view of its potential application as a high-energy-density material. Based on the results of evolutionary structure searches, we proposed two high-pressure polymeric structures to be stable beyond the stability field of the synthesized cubic gauche structure-the layered Pba2 or Iba2 (188-320 GPa) and the helical tunnel P2(1)2(1)2(1) structure (> 320 GPa). We rule out the low-temperature stability of the earlier proposed black phosphorus structure. Stability fields of the newly predicted polymorphs are within the reach of current experimental techniques.
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