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Abstract: To explore the limitations of the mean field approximation, frequently usedin \textit{ab initio} molecular electronics calculations, we study anout-of-equilibrium Anderson impurity model in a scattering formalism. We findregions in the parameter space where both magnetic and non-magnetic solutionsare stable. We also observe a hysteresis in the non-equilibrium magnetizationand current as a function of the applied bias voltage. The mean field methodalso predicts incorrectly local moment formation for large biases and a spinpolarized current, and unphysical kinks appear in various physical quantities.The mean field approximation thus fails in every region where it predicts localmoment formation.



Author: Bertalan Horváth, Bence Lazarovits, Olivier Sauret, Gergely Zaránd

Source: https://arxiv.org/







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