Conductance calculations for quantum wires and interfaces: mode matching and Green functions

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dc.creatorKhomyakov, P. A.
dc.creatorBrocks, G.
dc.creatorKarpan, V.
dc.creatorZwierzycki, M.
dc.creatorKelly, P. J.
dc.date2005-01-25
dc.date.accessioned2026-07-07T03:03:25Z
dc.date.available2026-07-07T03:03:25Z
dc.descriptionLandauer's formula relates the conductance of a quantum wire or interface to transmission probabilities. Total transmission probabilities are frequently calculated using Green function techniques and an expression first derived by Caroli. Alternatively, partial transmission probabilities can be calculated from the scattering wave functions that are obtained by matching the wave functions in the scattering region to the Bloch modes of ideal bulk leads. An elegant technique for doing this, formulated originally by Ando, is here generalized to any Hamiltonian that can be represented in tight-binding form. A more compact expression for the transmission matrix elements is derived and it is shown how all the Green function results can be derived from the mode matching technique. We illustrate this for a simple model which can be studied analytically, and for an Fe|vacuum|Fe tunnel junction which we study using first-principles calculations.
dc.description14 pages, 5 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0501609
dc.identifierhttp://arxiv.org/abs/cond-mat/0501609
dc.identifierPhys. Rev. B 72, 035450 (2005)
dc.identifierdoi:10.1103/PhysRevB.72.035450
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/25746
dc.subjectMaterials Science
dc.titleConductance calculations for quantum wires and interfaces: mode matching and Green functions
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