Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen
Plasma Physics
2012-05-04 v2
Abstract
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated within ab initio molecular dynamics simulations in order to study the thermoelectric transport coefficients in dense liquid hydrogen, especially near the nonmetal-to-metal transition region. We also observe significant deviations from the widely used Wiedemann-Franz law which is strictly valid only for degenerate systems and give an estimate for its valid scope of application towards lower densities.
Cite
@article{arxiv.1205.0429,
title = {Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen},
author = {Bastian Holst and Martin French and Ronald Redmer},
journal= {arXiv preprint arXiv:1205.0429},
year = {2012}
}