Abstract
An approach to computing conductances of tunnel junctions within the framework of theLandauer–Büttiker theory for electronic transport is introduced and formulated for theKorringa–Kohn–Rostoker (KKR) method for electronic-structure calculations. After ageneral introduction to the idea behind the approach, tests and comparisons with othermethods, namely a ‘transmission of Bloch-waves’ approach and an approach based on theKubo–Greenwood formula for the conductivity tensor, reveal a high accuracy androbustness of the proposed method, thus proving its suitability for state-of-the-artcomputations of spin-dependent ballistic transport. Based on Green functions,it is flexible and can easily be implemented in present KKR computer codes.
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