Rotational Barrier of Diatomic Polar Impurities in Potassium Chloride Crystal Structure

Farag G. Elmzughi *, Mohamed Mansor **
*-** Faculty of Science, Physics Department, University of Tripoli, Tripoli, Libya.
Periodicity:January - March'2021


Expressions for the rotational barrier height parameters K1 and K2 have been derived for dilute OH-impurity in KCl, KBr and KI lattices. These values are derived using an ab initio calculations using point charge point dipole model, which appears to be suited for the present systems. The obtained values are close to what is observed generally for such systems. The results explains the the energy orientational configuration direction for each system. The value of potential parameters K1 and K2 also describes the energy eigen values for the rotor


Polar Impurities, Rotational Barrier, Potential Energy, Eigen Value, Dipole Model.

How to Cite this Article?

Elmzughi, F. G., and Mansor, M. (2021). Rotational Barrier of Diatomic Polar Impurities in Potassium Chloride Crystal Structure. i-manager's Journal on Material Science, 8(4), 11-19.


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