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Phys. Rev. B 72, 165425 (2005) [10 pages]

Current-constraining variational approaches to quantum transport

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P. Bokes1,*, H. Mera2, and R. W. Godby2
1Department of Physics, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, Ilkovičova 3, 841 04 Bratislava, Slovak Republic
2Department of Physics, University of York, Heslington, York YO10 5DD, United Kingdom

Received 18 July 2005; revised 23 August 2005; published 25 October 2005

Presently, the main methods for describing a nonequilibrium charge-transporting steady state are based on time-evolving it from the initial zero-current situation. An alternative class of theories would give the statistical nonequilibrium density operator from principles of statistical mechanics, in a spirit close to Gibbs ensembles for equilibrium systems, leading to a variational principle for the nonequilibrium steady state. We discuss the existing attempts to achieve this using the maximum entropy principle based on constraining the average current. We show that the current-constrained theories result in a zero-induced drop in electrostatic potential, so that such ensembles cannot correspond to the time-evolved density matrix, unless left- and right-going scattering states are mutually incoherent.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.72.165425
DOI:
10.1103/PhysRevB.72.165425
PACS:
73.63.−b, 73.23.Ad, 05.60.Gg

*Electronic address: Peter.Bokes@stuba.sk