In. Yakovkin et Pa. Dowben, The influence of both coordination number and lattice constant on the nonmetal to metal transition, J CHEM PHYS, 112(17), 2000, pp. 7622-7626
We show that both coordination and lattice constant can have an important i
nfluence on the nonmetal to metal transition and the two parameters are not
easily separated. Using example theoretical calculations for barium, we pr
ovide a compelling case that atomic coordination is a critical factor in de
termining the critical lattice constant for the nonmetal to metal transitio
n. A comparison between the nonmetal to metal transition three-dimensional
and two-dimensional systems is not possible on the basis of the atomic coor
dination alone. This is discussed in the context of a comparison of the ava
ilable experimental data for both elemental expanded fluids (three-dimensio
nal) and overlayers (quasi-two-dimensional). (C) 2000 American Institute of
Physics. [S0021-9606(00)71217-7].