Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen

Article

关键词: EQUATION-OF-STATE;    PLASMA PHASE-TRANSITION;    MOLECULAR-DYNAMICS;    FLUID HYDROGEN;    ELECTRICAL-CONDUCTIVITY;    HELIUM;    GPA;    METALLIZATION;    SEPARATION;    ENERGY;   

DOI  :  10.1103/PhysRevB.83.235120

来源: SCIE

【 摘 要 】

UsingKubo'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 toward lower densities.

【 授权许可】

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