Abstract

Lattice dynamics of solid hydrogen chloride is studied, assuming a rigid molecule, in the harmonic and pair potential (Lennard-Jones interaction) approximation between atoms with the inclusion of electrostatic interactions between point dipoles placed on atomic centres. The potential parameters for each of the different non-bonded atom pairs were obtained by means of an optimization routine to give a least-squares fit to observed zone centre ( k = 0) frequencies, equilibrium conditions and lattice energy of the lattice.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call