Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:1106.5255 · Annalen der Physik

Anisotropic two‐orbital Hubbard model: Single‐site versus cluster Dynamical Mean‐Field Theory

H. Lee, Y.‐Z. Zhang, Harald O. Jeschke, R. Valentí

Published Aug 26, 2011• 3 citations
arXivHTMLPDF

Abstract

Abstract The anisotropic two‐orbital Hubbard model with different bandwidths and degrees of frustration in each orbital is investigated in the framework of both single‐site dynamical mean‐field theory (DMFT) as well as its cluster extension (DCA) for clusters up to four sites combined with a continuous‐time quantum Monte Carlo algorithm. This model shows a rich phase diagram which includes the appearance of orbital selective phase transitions, non‐Fermi liquid behavior as well as antiferromagnetic metallic states. We discuss the advantages and drawbacks of employing the single‐site DMFT with respect to DCA and the consequences for the physical picture obtained out of these calculations. Finally, we argue that such a minimal model may be of relevance to understand the nature of the antiferromagnetic metallic state in the iron‐pnictide superconductors as well as the origin of the small staggered magnetization observed in these systems.

DOI
10.1002/andp.201100021

Related papers

Dynamical Cluster Approximation Study of the Anisotropic Two-Orbital Hubbard Model

Hunpyo Lee, Yu‐Zhong Zhang, Harald O. Jeschke +2 more

We investigate the properties of a two-orbital Hubbard model with unequal bandwidths on the square lattice in the framework of the dynamical cluster approximation (DCA) combined with a continuous-time quantum Monte Carlo algorithm. We explore the effect of short-range spatial fluctuations on the nature of the metal-insulator transition and the possible occurrence of an orbital-selective Mott transition (OSMT) as a function of cluster size N{c}. We observe that for N{c}=2 no OSMT is present, instead a band insulator state for both orbitals is stabilized at low temperatures due to the appearance of an artificial local ordered state. For N{c}=4 the DCA calculations suggest the presence of five different phases which originate out of the cooperation and competition between spatial fluctuations and orbitals of different bandwidths and an OSMT phase is stabilized. Based on our results, we discuss the nature of the gap opening.

arXiv:0910.3911•Physical Review Letters•Jan 15, 2010•26 citations

Mott transition of fermions in anisotropic ruby lattice

An Bao

In this work, the Hubbard model is adopted to describe fermions with on-site repulsive interaction and the nearest-neighbor hopping in anisotropic ruby lattice. The combination of cluster dynamical mean field theory and continuous-time quantum Monte Carlo algorithm is used to solve the theoretical model. It is widely accepted that the density of states and the double occupancy are two important quantities for determining the phase transition of two-dimensional strongly correlated system. Therefore, based on the self-consistent calculation, using the maximum entropy method to calculate the single particle density of states and double occupancy of fermions in anisotropic ruby lattice. Here in this work, there are 6 sites in a cluster. The influences of temperature, interaction and anisotropic parameter on metal-insulator phase transition of fermions in anisotropic ruby lattice are discussed based on the calculations of single particle density of state and double occupancy. Finally, the metal-Mott insulator phase diagram which shows the competition between temperature and on-site repulsive interaction in the phase transition of fermions in anisotropic ruby lattice is presented. The results shows that the system is in metallic state for the regime of weak interaction and low temperature, and the Mott insulator appears in the regime of strong interaction and high temperature. The metallic state and Mott insulating one are separated by the second-order transition line in the phase diagram.

Acta Physica Sinica•Jan 1, 2021•0 citations

Phase diagram and criticality of the three dimensional Hubbard model

G. Rohringer, A. Toschi, A. A. Katanin +1 more

Almost 50 years after the invention of the Hubbard model [1–3] and despite modern petaflop supercomputers, a precise analysis of the criticality of this most basic model for electronic correlations has not been achieved so far, at least not in three dimensions. Dynamical mean field theory (DMFT) [4–6] was a big step forward to quantitatively calculate the three dimensional Hubbard model since the major contribution of electronic correlations, i.e., the local ones, are well captured within this theory. Local correlations give rise to quasiparticle renormalization, the Mott-Hubbard transition, magnetism, and even more subtle issues such as kinks in a purely electronic models [7]. However, non-local spatial correlations are also naturally generated by a purely local Hubbard interaction, and, as it is well known, they become of essential importance in the vicinity of secondorder phase transitions. As these correlations are neglected in DMFT, this scheme can provide only for a conventional mean-field (MF) description of the critical properties. To overcome this shortcoming cluster extensions to DMFT such as the dynamical cluster approximation (DCA) and cluster-DMFT have been proposed, see Ref. 8 for a review. In these approaches non-local correlations beyond DMFT are taken into account, however only within the range of the cluster size; and due to computational limitations the actual size of the cluster is severely restricted to about 3-5 sites for each direction. Hence, short-range correlations are included by these approaches, whereas long-range ones are not. Nonetheless, Kent et al. [9] were able to extrapolate the cluster size of so-called Betts clusters to infinity, albeit assuming from the very beginning the critical exponents to be those of the Heisenberg model. This way they extrapolated the critical temperature of the paramagnetic-toantiferromagnetic phase transition which was found to be in agreement with earlier quantum Monte Carlo (QMC) simulations of Staudt et al. [10] on finite lattices.

•Apr 11, 2011•0 citations

ANISOTROPIC PHENOMENA IN STRONGLY CORRELATED ELECTRON SYSTEMS

Edwin Christopher Carter

This thesis is concerned with momentum anisotropy in strongly correlated electron systems, and explores its origin and its consequences through two contrasting projects. The first is a study of the temperature dependences of magnetotransport quantities in the normal state of the cuprate high-temperature superconductors. A phenomenological anisotropic small-angle scattering model is investigated; Hall effect measurements can be reproduced for parameters sufficiently close to particle-hole symmetry, but the experimentally observed magnetoresistance cannot be explained. The second project studies the phase diagram and quasiparticle properties of the square lattice Hubbard model within two-site cluster dynamical mean field theory (DMFT), at zero temperature. The "two-site" approach provides a drastically simplified but physically motivated self-consistency scheme for DMFT. This is combined for the first time with cluster DMFT, within which different magnetic orders and momentum anisotropy may be represented consistently. The extent of antiferromagnetism is determined; phases are discovered where the Fermi surface consists of small hole pockets, and the Mott transition happens as these pockets shrink to points. Anisotropic phenomena observed in the cuprates are reproduced by the theory; a pseudogap destroys the Fermi surface in some places, leaving behind Fermi arcs that closed into hole pockets by lines with very small quasiparticle residue.

•Jan 1, 2005•0 citations

Phase diagram and quasiparticle properties of the Hubbard model within cluster two-site dynamical mean-field theory

E. C. Carter, A. J. Schofield

We present a cluster dynamical mean-field treatment of the Hubbard model on a square lattice to study the evolution of magnetism and quasiparticle properties as the electron filling and interaction strength are varied. Our approach for solving the dynamical mean-field equations is an extension of Potthoff's ``two-site'' method [Phys. Rev. B. 64, 165114 (2001)], where the self-consistent bath is represented by a highly restricted set of states. As well as the expected antiferromagnetism close to half-filling, we observe distortions of the Fermi surface. The proximity of a van Hove point and the incipient antiferromagnetism lead to the evolution from an electronlike Fermi surface away from the Mott transition, to a holelike one near half-filling. Our results also show a gap opening anisotropically around the Fermi surface, close to the Mott transition (reminiscent of the pseudogap phenomenon seen in the cuprate high-${T}_{c}$ superconductors). This leaves Fermi arcs that are closed into pockets by lines with very small quasiparticle residue.

arXiv:cond-mat/0403093•Physical Review B•Jul 20, 2004•16 citations

Orbital‐selective Mott transitions in the 2‐band Jz‐model: a high‐precision quantum Monte Carlo study

P. G. J. van Dongen, C. Knecht, N. Blümer

Abstract Using high‐precision quantum Monte Carlo (QMC) simulations within the framework of dynamical mean field theory (DMFT), we show that the anisotropic degenerate two‐orbital Hubbard model contains two consecutive orbital‐selective Mott transitions (OSMTs) even in the absence of spin‐flip terms and pair‐hopping processes. In order to reveal the second transition we carefully analyze the low‐frequency part of the self‐energy and the local spectral functions. This paper extends our previous work to lower temperatures. We discuss the nature – in particular the order – of both Mott transitions and list various possible extensions. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

arXiv:cond-mat/0507682•physica status solidi (b)•Nov 24, 2005•12 citations
Abstract The anisotropic two‐orbital Hubbard model with different bandwidths and degrees of frustration in each orbital is investigated in the framework of both single‐site dynamical mean‐field theory (DMFT) as well as its cluster extension (DCA) for clusters up to four sites combined with a continuous‐time quantum Monte Carlo algorithm. This model shows a rich phase diagram which includes the appearance of orbital selective phase transitions, non‐Fermi liquid behavior as well as antiferromagnetic metallic states. We discuss the advantages and drawbacks of employing the single‐site DMFT with respect to DCA and the consequences for the physical picture obtained out of these calculations. Finally, we argue that such a minimal model may be of relevance to understand the nature of the antiferromagnetic metallic state in the iron‐pnictide superconductors as well as the origin of the small staggered magnetization observed in these systems.
We investigate the properties of a two-orbital Hubbard model with unequal bandwidths on the square lattice in the framework of the dynamical cluster approximation (DCA) combined with a continuous-time quantum Monte Carlo algorithm. We explore the effect of short-range spatial fluctuations on the nature of the metal-insulator transition and the possible occurrence of an orbital-selective Mott transition (OSMT) as a function of cluster size N{c}. We observe that for N{c}=2 no OSMT is present, instead a band insulator state for both orbitals is stabilized at low temperatures due to the appearance of an artificial local ordered state. For N{c}=4 the DCA calculations suggest the presence of five different phases which originate out of the cooperation and competition between spatial fluctuations and orbitals of different bandwidths and an OSMT phase is stabilized. Based on our results, we discuss the nature of the gap opening.
In this work, the Hubbard model is adopted to describe fermions with on-site repulsive interaction and the nearest-neighbor hopping in anisotropic ruby lattice. The combination of cluster dynamical mean field theory and continuous-time quantum Monte Carlo algorithm is used to solve the theoretical model. It is widely accepted that the density of states and the double occupancy are two important quantities for determining the phase transition of two-dimensional strongly correlated system. Therefore, based on the self-consistent calculation, using the maximum entropy method to calculate the single particle density of states and double occupancy of fermions in anisotropic ruby lattice. Here in this work, there are 6 sites in a cluster. The influences of temperature, interaction and anisotropic parameter on metal-insulator phase transition of fermions in anisotropic ruby lattice are discussed based on the calculations of single particle density of state and double occupancy. Finally, the metal-Mott insulator phase diagram which shows the competition between temperature and on-site repulsive interaction in the phase transition of fermions in anisotropic ruby lattice is presented. The results shows that the system is in metallic state for the regime of weak interaction and low temperature, and the Mott insulator appears in the regime of strong interaction and high temperature. The metallic state and Mott insulating one are separated by the second-order transition line in the phase diagram.
Almost 50 years after the invention of the Hubbard model [1–3] and despite modern petaflop supercomputers, a precise analysis of the criticality of this most basic model for electronic correlations has not been achieved so far, at least not in three dimensions. Dynamical mean field theory (DMFT) [4–6] was a big step forward to quantitatively calculate the three dimensional Hubbard model since the major contribution of electronic correlations, i.e., the local ones, are well captured within this theory. Local correlations give rise to quasiparticle renormalization, the Mott-Hubbard transition, magnetism, and even more subtle issues such as kinks in a purely electronic models [7]. However, non-local spatial correlations are also naturally generated by a purely local Hubbard interaction, and, as it is well known, they become of essential importance in the vicinity of secondorder phase transitions. As these correlations are neglected in DMFT, this scheme can provide only for a conventional mean-field (MF) description of the critical properties. To overcome this shortcoming cluster extensions to DMFT such as the dynamical cluster approximation (DCA) and cluster-DMFT have been proposed, see Ref. 8 for a review. In these approaches non-local correlations beyond DMFT are taken into account, however only within the range of the cluster size; and due to computational limitations the actual size of the cluster is severely restricted to about 3-5 sites for each direction. Hence, short-range correlations are included by these approaches, whereas long-range ones are not. Nonetheless, Kent et al. [9] were able to extrapolate the cluster size of so-called Betts clusters to infinity, albeit assuming from the very beginning the critical exponents to be those of the Heisenberg model. This way they extrapolated the critical temperature of the paramagnetic-toantiferromagnetic phase transition which was found to be in agreement with earlier quantum Monte Carlo (QMC) simulations of Staudt et al. [10] on finite lattices.
This thesis is concerned with momentum anisotropy in strongly correlated electron systems, and explores its origin and its consequences through two contrasting projects. The first is a study of the temperature dependences of magnetotransport quantities in the normal state of the cuprate high-temperature superconductors. A phenomenological anisotropic small-angle scattering model is investigated; Hall effect measurements can be reproduced for parameters sufficiently close to particle-hole symmetry, but the experimentally observed magnetoresistance cannot be explained. The second project studies the phase diagram and quasiparticle properties of the square lattice Hubbard model within two-site cluster dynamical mean field theory (DMFT), at zero temperature. The "two-site" approach provides a drastically simplified but physically motivated self-consistency scheme for DMFT. This is combined for the first time with cluster DMFT, within which different magnetic orders and momentum anisotropy may be represented consistently. The extent of antiferromagnetism is determined; phases are discovered where the Fermi surface consists of small hole pockets, and the Mott transition happens as these pockets shrink to points. Anisotropic phenomena observed in the cuprates are reproduced by the theory; a pseudogap destroys the Fermi surface in some places, leaving behind Fermi arcs that closed into hole pockets by lines with very small quasiparticle residue.
We present a cluster dynamical mean-field treatment of the Hubbard model on a square lattice to study the evolution of magnetism and quasiparticle properties as the electron filling and interaction strength are varied. Our approach for solving the dynamical mean-field equations is an extension of Potthoff's ``two-site'' method [Phys. Rev. B. 64, 165114 (2001)], where the self-consistent bath is represented by a highly restricted set of states. As well as the expected antiferromagnetism close to half-filling, we observe distortions of the Fermi surface. The proximity of a van Hove point and the incipient antiferromagnetism lead to the evolution from an electronlike Fermi surface away from the Mott transition, to a holelike one near half-filling. Our results also show a gap opening anisotropically around the Fermi surface, close to the Mott transition (reminiscent of the pseudogap phenomenon seen in the cuprate high-Tc{T}_{c}Tc​ superconductors). This leaves Fermi arcs that are closed into pockets by lines with very small quasiparticle residue.
Abstract Using high‐precision quantum Monte Carlo (QMC) simulations within the framework of dynamical mean field theory (DMFT), we show that the anisotropic degenerate two‐orbital Hubbard model contains two consecutive orbital‐selective Mott transitions (OSMTs) even in the absence of spin‐flip terms and pair‐hopping processes. In order to reveal the second transition we carefully analyze the low‐frequency part of the self‐energy and the local spectral functions. This paper extends our previous work to lower temperatures. We discuss the nature – in particular the order – of both Mott transitions and list various possible extensions. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)