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Structural stability of polymeric nitrogen: A first-principles investigation
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10.1063/1.3290954
/content/aip/journal/jcp/132/2/10.1063/1.3290954
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/2/10.1063/1.3290954

Figures

Image of FIG. 1.
FIG. 1.

Extended structures of the most polymeric phases of nitrogen: (a) BP, (b) ch, (c) cg, (d) , (e) A7, (f) rcg, (g) , (h) cw, and (i) .

Image of FIG. 2.
FIG. 2.

Enthalpy per nitrogen atom difference between the various nitrogen phases and cg as functions of pressure.

Image of FIG. 3.
FIG. 3.

The pressure dependence of the elastic constants of (a) cg, (b) ch, (c) , (d) cw, and (e) rcg phases, respectively.

Image of FIG. 4.
FIG. 4.

The calculated phonon frequencies of (a) cg phase at pressures of 0, 240, and 360 GPa. (b) phase at pressures of 60, 200, and 240 GPa. (c) BP phase at pressures of 20, 220, 300, and 360 GPa. (d) phase at pressures of 60, 240, and 360 GPa. (e) A7 phase at pressures of 60, 100, and 110 GPa. (f) LB phase at pressures of 20 and 120 GPa. (g) rcg phase at pressures of 0, 110, and 240 GPa.

Tables

Generic image for table
Table I.

The stabilities of all candidate structures.

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/content/aip/journal/jcp/132/2/10.1063/1.3290954
2010-01-11
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structural stability of polymeric nitrogen: A first-principles investigation
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/2/10.1063/1.3290954
10.1063/1.3290954
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