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Novel High Pressure Structures of Polymeric Nitrogen
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 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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Cites
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
Oganov, A. R., & Glass, C. W. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2210932 · Cited by 2,596
Cited by
Ab initio random structure searching
Pickard, C. J., & Needs, R. J. (2011) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/23/5/053201 · Cited by 1,302
How Evolutionary Crystal Structure Prediction Works—and Why
Oganov, A. R., Lyakhov, A. O., & Valle, M. (2011) · Accounts of Chemical Research · doi:10.1021/ar1001318 · Cited by 1,240
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Metadata
- Authors
- Ma, Y., Oganov, A. R., Li, Z., Xie, Y., & Kotakoski, J.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2009-02-09
- Volume
- 102
- Issue
- 6
- Pages
- 065501-065501
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2013565997
- Cited by
- 284
- References
- 1
- FWCI
- 15.74
- Type
- journal article
- Language
- en
- Open access
- closed
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- Ma, Y., Oganov, A. R., Li, Z., Xie, Y., & Kotakoski, J. (2009). Novel High Pressure Structures of Polymeric Nitrogen. Physical Review Letters. https://doi.org/10.1103/physrevlett.102.065501
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