Computation of force constant, lattice frequency and debye temperature of alkali halide crystals on the basis of two forms of potential energy functions

The force constant, lattice frequency and the Debye temperature of the ionic crystals have been computed for twenty alkali halides. These molecules are halides of Li, Na, K, Rb and Cs. The two forms of potential energy functions have been employed labeled as Woodcock model and L5 Model. A new relation for the estimation of force constant of diatomic crystals by using molecular constants data has also been developed. The variations of each property have been plotted and the comparative study has been done.