Thermoelastic parameters of crystals
The parameters C1 = [∂(1/KT)/∂P]T, which describes the pressure variation of the compressibility, δT, the isothermal Anderson–Grüneisen parameter, and mT = (∂ ln KT/∂T)P, which describes the temperature variation of the compressibility, have been investigated for some face-centred cubic (f.c.c.) and body-centred cubic (b.c.c.) types of ionic crystals using a central force, rigid-ion interaction approach employing fewer approximations than has been usual heretofore. A theoretical estimate of these parameters is made by using thermodynamic relationships, including the expression for the parameter q that describes the volume variation of the Grüneisen parameter, and choosing a few modified and realistic potential functions. The results compare well with the available experimental data and exhibit an essential improvement over other theoretical determinations.