To explore correlated electrons in the presence of local and nonlocal disorder, the Blackman-Esterling-Berk method for averaging over off-diagonal disorder is implemented into dynamical mean-field theory using tensor notation. The impurity model combining disorder and correlations is solved using the recently developed fork tensor-product state solver, which allows one to calculate the single particle spectral functions on the real-frequency axis. In the absence of off-diagonal hopping, we establish exact bounds of the spectral function of the noninteracting Bethe lattice with coordination number $Z$ . In the presence of interaction, the Mott insulating paramagnetic phase of the one-band Hubbard model is computed at zero temperature in alloys with site- and off-diagonal disorder. When the Hubbard $U$ parameter is increased, transitions from an alloy band insulator through a correlated metal into a Mott insulating phase are found to take place.To explore correlated electrons in the presence of local and nonlocal disorder, the Blackman-Esterling-Berk method for averaging over off-diagonal disorder is implemented into dynamical mean-field theory using tensor notation. The impurity model combining disorder and correlations is solved using the recently developed fork tensor-product state solver, which allows one to calculate the single particle spectral functions on the real-frequency axis. In the absence of off-diagonal hopping, we establish exact bounds of the spectral function of the noninteracting Bethe lattice with coordination number $Z$. In the presence of interaction, the Mott insulating paramagnetic phase of the one-band Hubbard model is computed at zero temperature in alloys with site- and off-diagonal disorder. When the Hubbard $U$ parameter is increased, transitions from an alloy band insulator through a correlated metal into a Mott insulating phase are found to take place.

arXiv:2105.06971Physical review. B./Physical review. BJul 16, 202112 citations

The electronic spectrum and the metal-insulator transition in the Hubbard model

E. G. Goryachev, Evgeniy V. Kuz’min, Sergei G. Ovchinnikov

Physics Letters ASep 1, 19810 citations

Electronic correlations in the Hubbard model on the Kagome lattice

Klaus Steiner

The aim of this thesis is the investigation of electronic correlations in the intermediate region between the metallic and insulating phase of the frustrated Kagome lattice. Most previous studies address the ground state of the Heisenberg model on the Kagome lattice, and therefore only the purely insulating phase. However, we go a step further by studying the Hubbard model on the Kagome lattice and thus including metallic contributions. We solve the Hubbard model with the determinant quantum Monte Carlo (DQMC) method and compare to results of the dynamical mean field theory (DMFT). First we study the half-filled system across the range of the Mott-Hubbard metal-insulator transition, and then the electron doped system, where the chemical potential is in the center of the flat band. In various post-processing steps we calculate the k-integrated spectral functions, the k-resolved spectral functions, the equal-time magnetic structure factors and the dynamic magnetic structure factors.The aim of this thesis is the investigation of electronic correlations in the intermediate region between the metallic and insulating phase of the frustrated Kagome lattice. Most previous studies address the ground state of the Heisenberg model on the Kagome lattice, and therefore only the purely insulating phase. However, we go a step further by studying the Hubbard model on the Kagome lattice and thus including metallic contributions. We solve the Hubbard model with the determinant quantum Monte Carlo (DQMC) method and compare to results of the dynamical mean field theory (DMFT). First we study the half-filled system across the range of the Mott-Hubbard metal-insulator transition, and then the electron doped system, where the chemical potential is in the center of the flat band. In various post-processing steps we calculate the k-integrated spectral functions, the k-resolved spectral functions, the equal-time magnetic structure factors and the dynamic magnetic structure factors.

Nov 1, 20180 citations

Z

. In the presence of interaction, the Mott insulating paramagnetic phase of the one-band Hubbard model is computed at zero temperature in alloys with site- and off-diagonal disorder. When the Hubbard

U

parameter is increased, transitions from an alloy band insulator through a correlated metal into a Mott insulating phase are found to take place.