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Phys. Rev. B 76, 115117 (2007) [7 pages]

Transmission eigenchannels from nonequilibrium Green’s functions

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Magnus Paulsson1,2,3,* and Mads Brandbyge1,†
1Department of Micro- and Nanotechnology (MIC), Technical University of Denmark (DTU), Ørsteds Plads, DK-2800 Lyngby, Denmark
2Department of Electronics, Toyama University, Gofuku, Toyama 930-8555, Japan
3Division of Physics, School of Pure and Applied Natural Sciences, University of Kalmar, 391 82 Kalmar, Sweden

Received 13 February 2007; revised 11 June 2007; published 18 September 2007

The concept of transmission eigenchannels is described in a tight-binding nonequilibrium Green’s function (NEGF) framework. A simple procedure for calculating the eigenchannels is derived using only the properties of the device subspace and quantities normally available in a NEGF calculation. The method is exemplified by visualization in real space of the eigenchannels for three different molecular and atomic wires.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.76.115117
DOI:
10.1103/PhysRevB.76.115117
PACS:
73.23.Ad, 73.63.Nm, 73.63.Rt

*Present address: Division of Physics, School of Pure and Applied Natural Sciences, University of Kalmar, 391 82 Kalmar, Sweden. magnus.paulsson@hik.se

mbr@mic.dtu.dk