Abstract
The electronic structures of liquid Cs−Sb and liquid Cs−I systems have been calculated using the self-consistent semirelativistic APW method within the superlattive model. We have investigated the nature of chemical bonding in connection with the composition dependent metal-nonmetal transition in these systems. It is found that Cs−Sb system is principally ionic as well as Cs−I system, but appreciable admixture of the metallic bonding is observed; this explains the different behavior between the two systems in their composition-induced metal-nonmetal transitions.
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Nishikawa, A., Niizeki, K. Electronic structure and metal-nonmetal transition in liquid Cs−Sb and Cs−I systems. Z. Physik B - Condensed Matter 79, 341–346 (1990). https://doi.org/10.1007/BF01437642
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DOI: https://doi.org/10.1007/BF01437642