Abstract
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 or (188–320 GPa) and the helical tunnel structure (). 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.
- Received 4 October 2008
DOI:https://doi.org/10.1103/PhysRevLett.102.065501
©2009 American Physical Society