Journal of Chemical Physics, Vol.112, No.17, 7622-7626, 2000
The influence of both coordination number and lattice constant on the nonmetal to metal transition
We show that both coordination and lattice constant can have an important influence on the nonmetal to metal transition and the two parameters are not easily separated. Using example theoretical calculations for barium, we provide a compelling case that atomic coordination is a critical factor in determining the critical lattice constant for the nonmetal to metal transition. A comparison between the nonmetal to metal transition three-dimensional and two-dimensional systems is not possible on the basis of the atomic coordination alone. This is discussed in the context of a comparison of the available experimental data for both elemental expanded fluids (three-dimensional) and overlayers (quasi-two-dimensional).