The static and dynamic conductivity of warm dense Aluminum and Gold calculated within a density functional approach

Details The static and dynamic conductivity of warm dense Aluminum and Gold calculated within a density functional approach The static and dynamic conductivity of warm dense Aluminum and Gold calculated within a density functional approach

2005-05-10

arxiv.org/abs/cond-mat/0505226v1

Phys. Rev. E vol 73, p 036401 (2006)

Physics

Condensed Matter

Materials Science

5 figures, Latex original. Cross-referencced to PLASMA PHYSICS

Scientific paper

10.1103/PhysRevE.73.036401

The static resistivity of dense Al and Au plsmas are calculated where all the needed inputs are obtained from density functional theory (DFT). This is used as input for a study of the dynamic conductivity. These calculations involve a self-consistent determination of (i) the equation of state (EOS) and the ionization balance, (ii) evaluation of the ion-ion, and ion-electron pair-distribution functions, (iii) Determination of the scattering amplitudes, and finally the conductivity. We present data for the static resistivity of Al for compressions 0.1-2.0, and in the temperature range T= 0.1 - 10 eV. Results for Au in the same temperature range and for compressions 0.1-1.0 is also given. In determining the dynamic conductivity for a range of frequencies consistent with standard laser probes, a knowledge of the electronic eigenstates and occupancies of Al- or Au plasma becomes necessary. They are calculated using a neutral-pseudoatom model. We examine a number of first-principles approaches to the optical conductivity, including many-body perturbation theory, molecular-dynamics evaluations, and simplified time-dependent DFT. The modification to the Drude conductivity that arises from the presence of shallow bound states in typical Al-plasmas is examined and numerical results are given at the level of the Fermi Golden rule and an approximate form of time-dependent DFT.

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