No evidence of a metal-insulator transition in dense hot aluminum: A first-principles study

Structural and electronic properties of dense hot aluminum are studied by n b initio simulation using the molecular-dynamics scheme based on finite-tem perature density-functional theory. The electrical conductivity of the syst em is computed from the Kubo-Greenwood formula for the optical conductivity . This study covers the density range rho = 1.4-2.0 g/cm(3), at temperature s T=1000-8000 K. Within this range of densities and temperatures, analysis of data obtained from a recent experiment on laser-heated aluminum seems to indicate that the system undergoes a metal-insulator transition characteri zed by a dramatic decrease of the electrical conductivity that assumes valu es that differ by at least an order of magnitude from current theoretical p redictions. The results of the present simulation show no evidence of such a transition. Rather dense hot aluminum appears to behave like a standard l iquid metal. [S0163-1829(99)16647-5].