The elastic constants of face-centered-cubic solid krypton in the pressure range 0–8 GPa at 300 K have been calculated from the classical quasiharmonic lattice-dynamics method using several empirical potentials. The calculated equation of state and elastic constants are in excellent agreement with experiments. The theoretical results confirm the observed trend $C_{11}>C_{12}>C_{44}$ derived recently from Brillouin-scattering measurements. Analysis of the mechanical stability conditions show no evidence of structural instability that may lead to a suggested phase transformation above 30 GPa.

• Received 19 March 1998

DOI:https://doi.org/10.1103/PhysRevB.58.2365