Electronic structure and metal-nonmetal transition in liquid Cs−Sb and Cs−I systems

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.