Failure of mean-field approach in out-of-equilibrium Anderson model

Details Failure of mean-field approach in out-of-equilibrium Anderson model Failure of mean-field approach in out-of-equilibrium Anderson model

2007-12-03

arxiv.org/abs/0712.0296v1

Phys. Rev. B 77, 113108 (2008)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 5 figures

Scientific paper

10.1103/PhysRevB.77.113108

To explore the limitations of the mean field approximation, frequently used in \textit{ab initio} molecular electronics calculations, we study an out-of-equilibrium Anderson impurity model in a scattering formalism. We find regions in the parameter space where both magnetic and non-magnetic solutions are stable. We also observe a hysteresis in the non-equilibrium magnetization and current as a function of the applied bias voltage. The mean field method also predicts incorrectly local moment formation for large biases and a spin polarized current, and unphysical kinks appear in various physical quantities. The mean field approximation thus fails in every region where it predicts local moment formation.

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