Charge redistribution in correlated heterostuctures within nonequilibrium real-space dynamical mean-field theory
| Autor: | Titvinidze, Irakli, Sorantin, Max E., Dorda, Antonius, von der Linden, Wolfgang, Arrigoni, Enrico |
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| Rok vydání: | 2018 |
| Předmět: | |
| Zdroj: | Phys. Rev. B 98, 035146 (2018) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevB.98.035146 |
| Popis: | We address the steady-state behavior of a system consisting of several correlated monoatomic layers sandwiched between two metallic leads under the influence of a bias voltage. In particular, we investigate the effect of the local Hubbard and of the long-range Coulomb interactions on the charge redistribution at the interface. We provide a detailed study of the importance of the various system parameters, like Hubbard $U$, lead-correlated region coupling strength, and the applied voltage on the charge distribution in the correlated region and in the adjacent parts of the leads. Our results are obtained within non-equilibrium (steady-state) real-space dynamical mean-field theory (R-DMFT), with a self-consistent treatment of the long-range part of the Coulomb interaction by means of the Poisson equation. The latter is solved by the Newton-Raphson method and we find that this significantly reduces the computational cost compared to existing treatment. As impurity solver for R-DMFT we use the auxiliary master equation approach (AMEA), which addresses the impurity problem within a finite auxiliary system coupled to Markovian environments. Comment: 14 pages, 8 figures |
| Databáze: | arXiv |
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