Stability of the R3m structure of solid N2 under high pressure based on Kihara potentials

✍ Scribed by Koji Kobashi; Richard D. Etters; Ian L. Spain

• Publisher: Elsevier Science
• Year: 1985
• Tongue: English
• Weight: 389 KB
• Volume: 114
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(85)85058-2

✦ Synopsis

The stabiiiry of solid Nz with a @43z-like RTrn structure with respect to -r-N2 has been studied under high pressure at zero temperature using Kihara potentials of 12-6 and cxp-6 forms. It is shown that the RTm Structure is less stable than the rN2 structure For Vm > 12 cm3/mole. consistent with experiment In order to stabilize the Rsm structure, the quadrupolc moment of the molecules in RTrn has to be reduced considerably compared to the flue for y-N2 Librational Trcquencies at wave vector k = 0 for -y-N2 and For the R?im structure arc also calculated