Dresden 2014 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 44: Low-Dimensional Systems: 2D - Theory (TT jointly with O)
O 44.13: Vortrag
Mittwoch, 2. April 2014, 12:45–13:00, BEY 81
Phase diagram of the square lattice bilayer Hubbard model: A Variational Monte Carlo study — Robert Rüger1,2, •Luca Fausto Tocchio1,3, Roser Valentí1, and Claudius Gros1 — 1University of Frankfurt, Germany — 2Scientific Computing & Modelling NV, Amsterdam, The Netherlands — 3SISSA, Trieste, Italy
We investigate the phase diagram of the square lattice bilayer Hubbard model at half filling with the variational Monte Carlo method for both the magnetic and the paramagnetic case as a function of interlayer hopping t⊥ and on-site Coulomb repulsion U. With this study we resolve some discrepancies in previous calculations based on the dynamical mean field theory, and we are able to determine the nature of the phase transitions between metal, Mott insulator and band insulator. In the magnetic case we find only two phases: An antiferromagnetic Mott insulator at small t⊥ for any value of U and a band insulator at large t⊥. At large U values we approach the Heisenberg limit. The paramagnetic phase diagram shows at small t⊥ a metal to Mott insulator transition at moderate U values and a Mott to band insulator transition at larger U values. We also observe a reentrant Mott insulator to metal transition and metal to band insulator transition for increasing t⊥ in the range of 5.5t < U < 7.5t. Finally, we discuss the obtained phase diagrams in relation to previous studies based on different many-body approaches.