arXiv 0909.22482009-09cond-mat.str-elcond-mat.mtrl-sci

Electrical conductivity of high-pressure liquid hydrogen by quantum Monte Carlo methods

Fei Lin, Miguel A. Morales, Kris T. Delaney, Carlo Pierleoni, Richard M. Martin, D. M. Ceperley

备注：: 4 pages, 5 figures
发表信息：: Phys. Rev. Lett. 103, 256401 (2009)
DOI：: 10.1103/PhysRevLett.103.256401

英文摘要：

We compute the electrical conductivity for liquid hydrogen at high pressure using quantum Monte Carlo. The method uses Coupled Electron-Ion Monte Carlo to generate configurations of liquid hydrogen. For each configuration correlated sampling of electrons is performed in order to calculate a set of lowest many-body eigenstates and current-current correlation functions of the system, which are summed over in the many-body Kubo formula to give AC electrical conductivity directly. The extrapolated DC conductivity at 3000 K for several densities shows a liquid semiconductor to liquid-metal transition at high pressure. Our results are in good agreement with shock-wave data.

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