Literature DB >> 24877951

Density-functional theory of thermoelectric phenomena.

F G Eich1, M Di Ventra2, G Vignale1.   

Abstract

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.

Entities:  

Year:  2014        PMID: 24877951     DOI: 10.1103/PhysRevLett.112.196401

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  3 in total

1.  Electron Traversal Times in Disordered Graphene Nanoribbons.

Authors:  Michael Ridley; Michael A Sentef; Riku Tuovinen
Journal:  Entropy (Basel)       Date:  2019-07-27       Impact factor: 2.524

Review 2.  Beyond the State of the Art: Novel Approaches for Thermal and Electrical Transport in Nanoscale Devices.

Authors:  Robert Biele; Roberto D'Agosta
Journal:  Entropy (Basel)       Date:  2019-08-02       Impact factor: 2.524

3.  Kinetic-Energy Density-Functional Theory on a Lattice.

Authors:  Iris Theophilou; Florian Buchholz; F G Eich; Michael Ruggenthaler; Angel Rubio
Journal:  J Chem Theory Comput       Date:  2018-07-19       Impact factor: 6.006

  3 in total

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