Efficient linear scaling method for computing the Landauer-Büttiker conductance

F. Triozon and S. Roche ()

The European Physical Journal B: Condensed Matter and Complex Systems, 2005, vol. 46, issue 3, 427-431

Abstract: We report on a novel order N algorithm, that allows efficient computation of the Landauer-Büttiker conductance formula in heterojunctions of any complexity. The method is based on the recursive construction of a bi-orthogonal basis, in which non-hermitian hamiltonian matrices are first tridiagonalized, and continued-fraction expansion further used to accurately compute off-diagonal Green’s function matrix elements. The method, of broad range of applicability, is here validated on tight-binding hamiltonians for nanotube-based intramolecular junctions. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2005

Date: 2005
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DOI: 10.1140/epjb/e2005-00260-x

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