Abstract
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.
Highlights
Introduction.—In recent years, we have seen tremendous experimental progress in the direction of man-made nanostructures
We demonstrate its reliability already on the one-particle vertex 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
Summary
Introduction.—In recent years, we have seen tremendous experimental progress in the direction of man-made nanostructures. We introduce the approach, validate its range of applicability against the exact numerical solution for system sizes where this is still possible, and demonstrate its potential by hands of calculations for a quantum point contact with 110 sites.
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