Dynamical vertex approximation for nanoscopic systems.


With an increasing complexity of nanoscopic systems and the modeling thereof, new theoretical tools are needed for a reliable calculation of complex systems with strong electronic correlations. To this end, we propose a new approach based on the recently introduced dynamical vertex approximation. We demonstrate its reliability already on the one-particle vertex (i.e., dynamical mean field theory) level by comparison with the exact solution. Modeling a quantum point contact with 110 atoms, we show that the contact becomes insulating already before entering the tunneling regime due to a local Mott-Hubbard transition occurring on the atoms which form the point contact.

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@article{Valli2010DynamicalVA, title={Dynamical vertex approximation for nanoscopic systems.}, author={Alberto Valli and Giorgio Sangiovanni and Olle Gunnarsson and Alessandro Toschi and Karsten Held}, journal={Physical review letters}, year={2010}, volume={104 24}, pages={246402} }