Cohesive and thermoelastic properties of 〖(KCN)〗_(x ) 〖(KCl)〗_(1-x)

Abstract

The thermal and elastic properties of are investigated by means of Extended Three Body Force Shell Model (ETSM). The motion of constituent atoms or molecules or the nature of binding forces of a crystal can be investigated by exploring the mechanical properties of pure and mixed crystals like anharmonic elastic properties. We have chosen different compositions at different temperature to show that anharmonic elastic properties are temperature dependent rather than composition dependent and the purpose of study is to test the mechanical stabilities of the potential. Moreover, the thermodynamic properties such as molecular force constant (f), Reststrahlen frequency (u_o), cohesive energy (f), Debye temperature (θ_D) and Gruneisen parameter (γ) have also been discussed.

Keywords: Elastic constants, Cohesive energy, Thermodynamic properties