A new model is presented for interionic potentials between alkali and halogen ions in which charge-transfer (CT) excitation from an anion to a cation is taken into account. The experimental molecular constants of twenty alkali halide molecules have been used to determine the contribution of the overlap repulsion and the CT interaction. The resulting potentials can reproduce cohesive properties of the corresponding solids well, such as crystal structure, lattice constant, and cohesive energy. The results are discussed compared with the traditional Born-Mayer theory and the shell model.
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