Relationships between lattice energy and electronic polarizability of A NB 8-N crystals

Abstract

The correlations between the electronic polarizability, determined from Clausius–Mosotti equation based on dielectric constant ε, and the lattice energy density u have been established for A NB 8-N crystals, such as the systems of rock salt crystals (group I–VII, II–VI) and tetrahedral coordinated crystals (group II–VI, III–V). For the A NB 8-N crystals systems, our present conclusions suggest that lattice energy density u decreases exponentially with increasing electronic polarizability, and the normal mathematical expression between lattice energy density u and electronic polarizability is u = pα q, p and q depend on the type of crystals. For the same cation binary A NB 8-N crystals systems, curve fitting equations have been obtained, and the relevant squares of the correlation coefficient R 2 are larger than 0.99, which show all lattice energy density u are in good exponential relation with electronic polarizability. These empirical equations will give more information on calculating lattice energy or electronic polarizability. New data of lattice energy have been calculated on the above equation u = pα q, and a good linear trend in the calculating values along with the Zhang’s values has been obtained.