Second Order Elastic Constants of (CsCN)x(CsX)1-x, (X= Cl, Br and I) mixed crystals

Dr. Preeti Singh, Dr Subhadra Rajpoot

Abstract: We have applied an Extended Three-Body Force Shell Model (ETSM) to investigate the elastic properties of mixed alkali cyanide-alkali halide crystal (CsCN) x (CsX) 1-x, (X= Cl, Br and I) for x=0, 0.28, 0.59 and 0.96 at different temperature. This model includes the effect of coupling between the translational and rotational motion of cyanide molecules. The static shear elastic constant c44 obtained by us shows an anamolous behaviour as a function of temperature. We have also reported the c11 and c12 of (CsCN) x (CsX) 1-x, (X= Cl, Br and I) mixed crystal.

Keywords: Elastic Constants, Cohesive energy, Elastic Softening, Mixed crystals, Translational-rotational coupling