Abstract

Elastic and lattice dynamical properties of fluoride structure PbF2, CdF2 and their mixed superionic conductors PbxCd1-xF2 have been calculated through a twelve parameter three-body shell model. The calculated elastic constants and the related properties, phonon density of states, phonon dispersion relations, variation of lattice specific heat with the absolute temperature are in good agreement with the available theoretical and experimental data. The obtained results of calculated elastic constants for the studied compounds PbF2, CdF2 and their mixed compound PbxCd1-xF2 are mechanically stable. The results of the elastic constants suggest that the above compounds are less compressible along the principle axis than their face and body diagonal. The results for bulk, shear and Young's modulus decreases as CdF2 → PbxCd1-xF2→ PbF2. The Pugh's ratio for the above compounds shows ductile behavior.

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