English

Quantum Monte-Carlo for correlated out-of-equilibrium nanoelectronics devices

Mesoscale and Nanoscale Physics 2015-07-08 v2 Strongly Correlated Electrons

Abstract

We present a simple, general purpose, quantum Monte-Carlo algorithm for out-of-equilibrium interacting nanoelectronics systems. It allows one to systematically compute the expansion of any physical observable (such as current or density) in powers of the electron-electron interaction coupling constant UU. It is based on the out-of-equilibrium Keldysh Green's function formalism in real-time and corresponds to evaluating all the Feynman diagrams to a given order UnU^n (up to n=15n=15 in the present work). A key idea is to explicitly sum over the Keldysh indices in order to enforce the unitarity of the time evolution. The method can easily reach long time, stationary regimes, even at zero temperature. We then illustrate our approach with an application to the Anderson model, an archetype interacting mesoscopic system. We recover various results of the literature such as the spin susceptibility or the "Kondo ridge" in the current-voltage characteristics. In this case, we found the Monte-Carlo free of the sign problem even at zero temperature, in the stationary regime and in absence of particle-hole symmetry. The main limitation of the method is the lack of convergence of the expansion in UU for large UU, i.e. a mathematical property of the model rather than a limitation of the Monte-Carlo algorithm. Standard extrapolation methods of divergent series can be used to evaluate the series in the strong correlation regime.

Keywords

Cite

@article{arxiv.1504.02132,
  title  = {Quantum Monte-Carlo for correlated out-of-equilibrium nanoelectronics devices},
  author = {Rosario E. V. Profumo and Christoph Groth and Laura Messio and Olivier Parcollet and Xavier Waintal},
  journal= {arXiv preprint arXiv:1504.02132},
  year   = {2015}
}

Comments

21 pages, 21 figures. Added new Fig.12 on series resummation