Dynamical Mean-Field Theory for spin-dependent electron transport in spin-valve devices

TL;DR

This paper combines DFT and DMFT to study spin-dependent electron transport in nanoscale Cu/Co devices, revealing how electron correlations suppress transmission and influence giant magnetoresistance effects.

Contribution

It introduces a novel method combining DFT and DMFT for electron transport calculations in spintronic devices, highlighting the role of dynamical correlations.

Findings

Electron correlations suppress coherent transmission through 3d states.

Imaginary part of DMFT self-energy relates to electron lifetime and transmission suppression.

GMR at energies ~1 eV above Fermi level is influenced by dynamical correlation effects.

Abstract

We present the combination of Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) for computing the electron transmission through two-terminals nanoscale devices. The method is then applied to metallic junctions presenting alternating Cu and Co layers, which exhibit spin-dependent charge transport and giant magnetoresistance (GMR) effect. The calculations show that the coherent transmission through the $3d$ states is greatly suppressed by electron correlations. This is mainly due to the finite lifetime induced by the electron-electron interaction and is directly related to the imaginary part of the computed many-body DMFT self-energy. At the Fermi energy, where in accordance with the Fermi-liquid behavior the imaginary part of the self-energy vanishes, the suppression of the transmission is entirely due to the shifts of the energy spectrum induced by electron correlations. Based our results, we finally suggest that the GMR measured in Cu/Co heterostructures for electrons with energies about 1 eV above the Fermi energy is a clear manifestation of dynamical correlation effects.