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

Abstract

Landauer'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.

14 pages, 5 figures

References in corpus (13)

• Density functional method for nonequilibrium electron transport
• Quantum properties of atomic-sized conductors
• General Green's function formalism for transport calculations with spd-Hamiltonians and giant magnetoresistance in Co and Ni based magnetic multilayers
• Spin Torques in Ferromagnetic/Normal Metal Structures
• Interface resistance of disordered magnetic multilayers
• Ballistic electron transport through magnetic domain walls
• Conductance and conductance fluctuations of narrow disordered quantum wires
• Real space finite difference method for conductance calculations
• Spin-injection through an Fe/InAs Interface
• Spin-dependent Transparency of Ferromagnet/Superconductor Interfaces
• A KKR Green function formalism for ballistic transport
• The role of symmetry on interface states in magnetic tunnel junctions
• Ab intio calculation of the Transmission Coefficients from a Superlattice electronic structure

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