Prediction of a new phase in solid $N_{2}$ at high pressure

15 November 1982

journal article
research article
Published by American Physical Society (APS) in Physical Review B

Vol. 26 (10) , 5996-5999
https://doi.org/10.1103/physrevb.26.5996

Abstract

A pressure-induced structural phase transition from the

γ

structure to the

R \bar{3} m

structure (

ε

N_{2}

) of solid

N_{2}

is predicted. Lattice-energy calculations using an exp-6-1 potential form fitted to the ab initio results of Berns and van der Avoird show that the transition is located at

P \sim 40

kbar at zero temperature with a volume change of 0.2

{cm}^{3}

/mole. The calculated

P - V

relation and the lattice parameters are presented.

Keywords

This publication has 19 references indexed in Scilit:

The structure of N2 at 49 kbar and 299 K
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1981
Lattice dynamics of solid N2 with an a b i n i t i o intermolecular potential
The Journal of Chemical Physics, 1980
Lattice vibrations of solid α-F₂
Molecular Physics, 1980
N2–N2 interaction potential from a b i n i t i o calculations, with application to the structure of (N2)2
The Journal of Chemical Physics, 1980
Transformation characteristics and orientation relations among the phases of solid oxygen
The Journal of Chemical Physics, 1979
Raman spectroscopy of solid nitrogen up to 374 kbar
Solid State Communications, 1979
Lattice dynamics in solid oxygen
The Journal of Chemical Physics, 1979
Quadrupole moments of some simple molecules
Journal of the American Chemical Society, 1968
Molecular Packing, Defects, and Transformations in Solid Oxygen
Physical Review B, 1967
Molecular multipole moments
Molecular Physics, 1966

Prediction of a new phase in solidN2at high pressure

Abstract

Keywords

Prediction of a new phase in solid $N_{2}$ at high pressure