Pressure dependence of single crystal elastic constants and anharmonic properties of wurtzite

Abstract The single crystal, elastic constants of wurtzite (ZnS) have been measured by means of the ultrasonic pulse superposition technique at 25°C as a function of pressure, and at 1 bar as a function of temperature between 25 and 100°C. Within experimental accuracy the pressure dependence in the range up to 10 kbar was found to be linear for the longitudinal modes and quadratic for the shear modes. The elastic constants and their first pressure derivatives agree approximately with theoretical values for the hcp structure with first nearest neighbor central force interaction. The experimental data are used for the discussion of the Born stability limit in relation to the high pressure transformations of wurtzite into the sphalerite and rock salt structures, for the calculation of the Gruneisen parameter in the anisotropic elastic continuum approximation, and for the calculation of the isothermal equation of state at high pressure. The elastic properties of sphalerite (ZnS) are calculated from the data for wurtzite in the ‘equivalent sphalerite approximation’ of Sullivan and used for discussing the dependence on ionic radii of the pressure coefficients of the elastic constants in sphalerite-type II–VI compounds. The Born stability limit, the Gruneisen parameter and the isothermal equation of state of sphalerite are also calculated and compared with the corresponding quantities for wurtzite.

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