Combined optical reflectivity measurement and ab initio simulation of expanded gold fluid across the metal–nonmetal transition regime

The metal–nonmetal transition is of fundamental interest in contemporary physics. We present a combination of the optical reflectivity measurement of an expanded gold fluid produced by gold L-band x-rays from a Hohlraum and the corresponding ab initio calculations to study the metal–nonmetal transition. The averaged density and temperature of the reflective layer are derived from 1D radiation hydrodynamic simulations constrained by matching the expansion velocity obtained from the fringe shift. A sharp change in time-resolved reflectivity occurs at one third of the initial density, near where the metal–nonmetal transition is predicted to occur. The reflectivity calculated based on the Helmholtz equations with the dielectric function from the density functional theory calculations is compared with the experimental measurement. Disagreement of reflectivity between calculation and measurement probably originates from the energy shift of the dielectric function due to the inaccurate Kohn–Sham eigenvalue. More accurate methods on calculating the dielectric function are still needed to improve the calculated reflectivity.