Density-functional theory of thermoelectric phenomena.

نویسندگان

  • F G Eich
  • M Di Ventra
  • G Vignale
چکیده

We introduce a nonequilibrium density-functional theory of local temperature and associated local energy density that is suited for the study of thermoelectric phenomena. The theory rests on a local temperature field coupled to the energy-density operator. We identify the excess-energy density, in addition to the particle density, as the basic variable, which is reproduced by an effective noninteracting Kohn-Sham system. A novel Kohn-Sham equation emerges featuring a time-dependent and spatially varying mass which represents local temperature variations. The adiabatic contribution to the Kohn-Sham potentials is related to the entropy viewed as a functional of the particle and energy density. Dissipation can be taken into account by employing linear response theory and the thermoelectric transport coefficients of the electron gas.

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عنوان ژورنال:
  • Physical review letters

دوره 112 19  شماره 

صفحات  -

تاریخ انتشار 2014