An analysis of the pressure and volume dependence of the Griineisen parameter y and the Debye temperature 0 is presented for NaCl crystals using the model developed by Kumari and Dass. It is pointed out that the parameter 4 = d In y/d In I.' should be taken nearly equal to unity for predicting y and 0 at different pressures. Various thermodynamic approximations implied in the analysis are discussed.
The cohesive energies and equations of state describing the pressure-volume relations are studied for nine systems of mixed alkali halide crystals for the entire range of composition. The Harrison analytical potential form for the overlap repulsive energy derived from quantum mechanical considerations is used to describe the nearest neighbour as well as next neighbour interactions. The long-range electrostatic and the short-range van der Waals interactions are also considered in the potential model. The thermoelastic properties such as the Griineisen parameter and its volume derivative, isothermal and isentropic Anderson parameters are also calculated and reported. The results are discussed and compared with experimental data.Die Kohasionsenergien und Zustandsgleichungen, die die Druck-Volumen-Beziehungen beschreiben, werden fur neun Alkalihalogenid-Mischkristallsysteme im gesamten Zusammensetzungsbereich untersucht. Die analytische Harrison-Potentialform fur die aus quantenmechanischen Betrachtungen abgeleitete repulsive Uberlappungsenergie wird benutzt, um sowohl die Wechselwirkungen nachster, als auch iibernachster Nachbarn zu beschreiben. Die weitreichenden elektrostatischen und die nahwirkenden van der Waals-Wechselwirkungen werden im Potentialmodell ebenfalls beriicksichtigt. Die thermoelastischen Eigenschaften, wie Griineisenparameter und seine Volumenableitung, isothermische und isentropische Andersonparameter werden ebenfalls berechnet und angegeben. Die Ergebnisse werden diskutiert und mit experimentellen Werten verglichen.
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