Journal ArticleDOI
Multichannel Landauer formula for thermoelectric transport with application to thermopower near the mobility edge
Uri Sivan,Yoseph Imry +1 more
TLDR
Various thermoelectric linear transport coefficients are defined and calculated for two reservoirs connected with ideal multichannel leads and a segment of an arbitrary disordered system and the expression obtained is used to predict the critical behavior of the electronic thermopower near the mobility edge.Abstract:
Various thermoelectric linear transport coefficients are defined and calculated for two reservoirs connected with ideal multichannel leads and a segment of an arbitrary disordered system. The reservoirs have different temperatures and chemical potentials. All of the inelastic scattering (and, thus, the dissipation) is assumed to occur only in the reservoirs. The definitions of the chemical potentials and temperature differences across the sample itself (mostly due to elastic scattering) are presented. Subtleties of the thermoelectric effects across the sample are discussed. The associated transport coefficients display deviations from the Onsager relations and from the Cutler-Mott formula for the thermopower (although the deviations vanish for a large number of channels and/or high resistance). The expression obtained is used to predict the critical behavior of the electronic thermopower near the mobility edge. It is shown to satisfy a scaling form in the temperature and separation from the mobility edge.read more
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QuantumATK: an integrated platform of electronic and atomic-scale modelling tools.
Søren Smidstrup,Troels Markussen,Pieter Vancraeyveld,Jess Wellendorff,Julian Schneider,Tue Gunst,Tue Gunst,Brecht Verstichel,Daniele Stradi,Petr Khomyakov,Ulrik Grønbjerg Vej-Hansen,Maeng-Eun Lee,Samuel T. Chill,Filip Rasmussen,G. Penazzi,Fabiano Corsetti,Ari Ojanperä,Kristian Jensen,Mattias Lau Nøhr Palsgaard,Mattias Lau Nøhr Palsgaard,Umberto Martinez,Anders Blom,Mads Brandbyge,Kurt Stokbro +23 more
TL;DR: QuantumATK as discussed by the authors is an integrated set of atomic-scale modelling tools developed since 2003 by professional software engineers in collaboration with academic researchers, which enable electronic-structure calculations using density functional theory or tight-binding model Hamiltonians, and also offers bonded or reactive empirical force fields in many different parametrizations.