Ma, Yanming ; Oganov, Artem R. ; Li, Zhenwei ; Xie, Yu ; Kotakoski, Jani (2009)
Novel High Pressure Structures of Polymeric Nitrogen.
In: Phys. Rev. Lett., 102 (6)
doi: 10.1103/PhysRevLett.102.065501
Artikel, Bibliographie
Kurzbeschreibung (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.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2009 |
| Autor(en): | Ma, Yanming ; Oganov, Artem R. ; Li, Zhenwei ; Xie, Yu ; Kotakoski, Jani |
| Art des Eintrags: | Bibliographie |
| Titel: | Novel High Pressure Structures of Polymeric Nitrogen |
| Sprache: | Englisch |
| Publikationsjahr: | 9 Februar 2009 |
| Verlag: | American Physical Society |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Phys. Rev. Lett. |
| Jahrgang/Volume einer Zeitschrift: | 102 |
| (Heft-)Nummer: | 6 |
| DOI: | 10.1103/PhysRevLett.102.065501 |
| URL / URN: | http://prl.aps.org/abstract/PRL/v102/i6/e065501 |
| Kurzbeschreibung (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. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften |
| Hinterlegungsdatum: | 28 Feb 2012 14:48 |
| Letzte Änderung: | 05 Mär 2013 09:59 |
| PPN: | |
| Sponsoren: | Y. M. is thankful for the financial support from the China 973 Program under Grant No. 2005CB724400, the National Natural Science Foundation of China under grant No. 10874054, the NSAF of China under Grant No. 10676011,, and the 2007 Cheung Kong Scholars Programme of China., Y. M. and ARO gratefully acknowledge financial support from the Swiss National Science Foundation (grant 200021-111847/1)., J. K. wants to acknowledge the JSC, Ju¨lich and the CSC, Johann Wolfgang Goethe- University, Frankfurt, for grants of computer time as well as the Deutsche Forschungsgemeinschaft for support through project No. AL 578/3-1. |
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