HIGH-PRESSURE ELASTIC-CONSTANTS OF SOLID KRYPTON FROM QUASI-HARMONIC LATTICE-DYNAMICS CALCULATIONS

The elastic constants of face-centered-cubic solid krypton in the pres sure range 0-8 GPa at 300 K have been calculated from the classical qu asiharmonic lattice-dynamics method using several empirical potentials . The calculated equation of state and elastic constants are in excell ent agreement with experiments. The theoretical results confirm the ob served trend C-11> C-12> C-44 derived recently from Brillouin-scatteri ng measurements. Analysis of the mechanical stability conditions show no evidence of structural instability that may lead to a suggested pha se transformation above 30 GPa.