Correlating transmission and local electronic structure in planar junctions: A tool for analyzing spin-dependent transport calculations

TL;DR

This paper introduces a method to analyze spin-dependent transport in planar junctions by correlating transmittance and spectral-density maps, providing detailed insights into the electronic contributions to conductance.

Contribution

It presents a novel correlation-based approach to interpret spin-dependent transport calculations, applicable within the Landauer-Büttiker formalism.

Findings

Correlation coefficients identify key layers and orbitals influencing conductance

Method applied successfully to Fe(001) and Fe/MgO/Fe(001) junctions

Provides detailed electronic structure insights for spin transport analysis

Abstract

We propose to correlate transmittance maps and spectral-density maps of planar junctions, in order to analyze quantitatively and in detail spin-dependent transport calculations. Since spectral-density maps can be resolved with respect to atom, angular momentum, and spin, the resulting correlation coefficients reveal unequivocally, e.g., which layers or which orbitals determine the tunnel conductances. Our method can be used for transport calculations within the Landauer-B\"uttiker formalism. Its properties and features will be discussed by means of a pure bcc Fe(001) lead as well as an extensively studied Fe(001)/MgO/Fe(001) planar tunnel junction.