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

Criticality and Superconductivity in the Two-dimensional Hubbard Model of Strongly Correlated Electronic Systems

Ehsan Khatami

Published Jan 1, 2009• 0 citations
OpenAlex

Abstract

Many properties of the two-dimensional Hubbard model have been explored for the model parameters appropriate for strongly correlated electronic systems, especially cuprate superconductors.Most of the calculations are done using a well-established dynamical cluster quantum Monte Carlo method.Using this method, we investigate the effect of long-range hoppings on superconductivity with and without the presence of phonons on small clusters.The superconducting transition temperature, T c , is found to generally decrease with a negative next nearest neighbor hopping, t ′ .In the presence of the Holstein phonons, a finite t ′ enhances T c in the under-doped region for the hole-doped system, consistent with band structure calculations and experiment.The validity of the spin-susceptibility-mediated pairing in this model is studied and found to yield symmetries other than d-wave when a finite t ′ is considered.A new numerical algorithm for solving the embedded cluster problems is introduced, and used to calculate the thermodynamic properties of the model on larger clusters, especially those associated with the quantum critical behavior at finite doping.Our results suggest that the quantum critical point (QCP) which separates the Fermi liquid and pseudogap regions, is the second order terminus of the line of first order phase separation transition in the limit when a positive t ′ goes to zero.For small t ′ , the superconducting dome is centered at the QCP, suggesting that charge fluctuations might have a role in the pairing mechanism in this model.I am very thankful to University of Cincinnati for providing me with the opportunity to pursue my education and the support I received during my program.Part of this thesis is a result of my work as a researcher at Louisiana State University.I am also thankful to them for their support.I would like to thank my adviser, Mark Jarrell, who taught me how to be an effective researcher, provided me with the opportunities to interact with other professionals and fully supported me financially for most of the duration of the

Related papers

0 Quantum Criticality and Incipient Phase Separation in the Thermodynamic Properties of the Hubbard Model

Galanakis, D., Ehsan Khatami, Karlis Mikelsons +4 more

Transport measurements on the cuprates suggest the presence of a quantum critical point (QCP) hiding underneath the superconducting dome near optimal hole doping. We provide numerical evidence in support of this scenario via a dynamical cluster quantum Monte Carlo study of the extended two-dimensional Hubbard model. Single-particle quantities, such as the spectral function, the quasi-particle weight and the entropy, display a crossover between two distinct ground states: a Fermi liquid at low filling and a non-Fermi liquid with a pseudo-gap at high filling. Both states are found to cross over to a marginal Fermi-liquid state at higher temperatures. For finite next-nearest-neighbour hopping t', we find a classical critical point at temperature Tc. This classical critical point is found to be associated with a phase-separation transition between a compressible Mott gas and an incompressible Mott liquid corresponding to the Fermi liquid and the pseudo-gap state, respectively. Since the critical temperature Tc extrapolates to zero as t' vanishes, we conclude that a QCP connects the Fermi liquid to the pseudo-gap region, and that the marginal Fermi-liquid behaviour in its vicinity is the analogue of the supercritical region in the liquid-gas transition. © 2011 The Royal Society.

Civil War Book Review•Apr 28, 2011•7 citations

Quantum criticality and incipient phase separation in the thermodynamic properties of the Hubbard model

D. G Alanakis, E. K Hatami, J. M Oreno +1 more

Transport measurements on the cuprates suggest the presence of a quantum critical point (QCP) hiding underneath the superconducting dome near optimal hole doping. We provide numerical evidence in support of this scenario via a dynamical cluster quantum Monte Carlo study of the extended two-dimensional Hubbard model. Single-particle quantities, such as the spectral function, the quasi-particle weight and the entropy, display a crossover between two distinct ground states: a Fermi liquid at low filling and a nonFermi liquid with a pseudo-gap at high filling. Both states are found to cross over to a marginal Fermi-liquid state at higher temperatures. For finite next-nearest-neighbour hopping t � , we find a classical critical point at temperature Tc. This classical critical point is found to be associated with a phase-separation transition between a compressible Mott gas and an incompressible Mott liquid corresponding to the Fermi liquid and the pseudo-gap state, respectively. Since the critical temperature Tc extrapolates to zero

•Jan 1, 2015•0 citations

Evolution of the superconductivity dome in the two-dimensional Hubbard model

K.-S. Chen, Zi Yang Meng, Shuxiang Yang +3 more

In a recent publication [Chen et al., Phys. Rev. B 86, 165136 (2012)], we identified a line of Lifshitz transition points separating the Fermi liquid and pseudogap regions in the hole-doped two-dimensional Hubbard model. Here, we extend the study to further determine the superconducting transition temperature in the phase diagram. By means of large-scale dynamical cluster quantum Monte Carlo simulations, we are able to identify the evolution of the $d$-wave superconducting dome in the hole-dope side of the phase diagram, with next-nearest-neighbor hopping (${t}^{\ensuremath{'}}$), chemical potential, and temperature as control parameters. To obtain the superconducting transition temperature ${T}_{c}$, we employ two-particle measurements of the pairing susceptibilities. As ${t}^{\ensuremath{'}}$ goes from positive to negative values, we find the $d$-wave projected irreducible pairing vertex function is enhanced, and the curvature of its doping dependence changes from convex to concave, which fixes the position of the maximum superconducting temperature at the same filling ($n\ensuremath{\approx}0.85$) and constraints the dome from precisely following the Lifshitz line. We furthermore decompose the irreducible vertex function into fully irreducible, charge and spin components via the parquet equations, and consistently find that the spin component dominates the pairing vertex function in the doping range where the dome is located. Our investigations deepen the understanding of the phase diagram of the two-dimensional Hubbard model and, more importantly, pose new questions to the field. For example, we found as ${t}^{\ensuremath{'}}$ goes from positive to negative values, the curvature of the pairing strength as a function of doping changes from convex to concave, and the nature of the dominant fluctuations changes from charge degree of freedom to spin degree of freedom. The study of these issues will lead to further understanding of the phase diagram of the two-dimensional Hubbard model and also the physics of the hole-doped cuprate high-temperature superconductors.

arXiv:1308.5946•Physical Review B•Dec 10, 2013•33 citations

Correlated-Electron Systems and High-Temperature Superconductivity

Takashi Yanagisawa, Mitake Miyazaki, Yamaji K.

We present recent theoretical results on superconductivity in correlated-electron systems, especially in the two-dimensional Hubbard model and the three-band d-p model. The mechanism of superconductivity in high-temperature superconductors has been extensively studied on the basis of various electronic models and also electron-phonon models. In this study, we investigate the properties of superconductivity in correlated-electron systems by using numerical methods such as the variational Monte Carlo method and the quantum Monte Carlomethod. The Hubbard model is one of basic models for strongly correlated electron systems, and is regarded as the model of cuprate high temperature superconductors. The d-p model is more realistic model for cuprates. The superconducting condensation energy obtained by adopting the Gutzwiller ansatz is in reasonable agreement with the condensation energy estimated for YBa2Cu3O7. We show the phase diagram of the ground state using this method. We have further investigated the stability of striped and checkerboard states in the under-doped region. Holes doped in a half-filled square lattice lead to an incommensurate spin and charge density wave. The relationship of the hole density x and incommensurability δ, δ~x, is satisfied in the lower doping region, as indicated by the variationalMonte Carlocalculations for the two-dimensional Hubbard model. A checkerboard-like charge-density modulation with a roughly period has also been observed by scanning tunneling microscopy experiments in Bi2212 and Na-CCOC compounds. We have performed a variational Monte Carlo simulation on a two-dimensional t-t′-t″- U Hubbard model with a Bi-2212 type band structure and found that the period checkerboard spin modulation, that is characterized by multi Q vectors, is indeed stabilized. We have further performed an investigation by using a quantumMonte Carlomethod, which is a numerical method that can be used to simulate the behavior of correlated electron systems. We present a new algorithm of the quantum Monte Carlo diagonalization that is a method for the evaluation of expectation value without the negative sign problem. We compute pair correlation functions and show that pair correlation is indeed enhanced with hole doping.

arXiv:1307.2456•Journal of Modern Physics•Jan 1, 2013•23 citations

Quantum simulations on square and triangular Hubbard models

Kuang-Shing Chen

In this thesis we try to understand the unconventional superconducting mechanism on cuprates and organic superconductors (or sodium cobaltates) which can be modeled by a two-dimensional square- and triangular-lattice Hubbard model respectively. The formation of the superconducting dome requires explanations of feasible scenarios. Generally speaking, pairing strength is provided by magnetic fl_x001D_uctuations in the strongly correlated region and the structure of the Fermi surface in this region will favor superconducting pairings with a certain type of symmetry. For the cuprate physics, a superconducting dome composed of d-wave pairings has been identified experimentally. We study the Hubbard model on square lattices and _x001C_find that the pairing strength is originated from anti-ferromagnetic instabilities, and the nearly nested Fermi surface with the square symmetry further supports the d-wave pairing. Moreover, our results show there is a quantum critical point (QCP) beneath the superconducting dome. The QCP is a zero-temperature instability which separates the Fermi liquid and pseudogap regions and exhibits the quantum _x001D_fluctuations which may lead to a high superconducting transition temperature. Above the QCP, a V-shape marginal Fermi liquid region associated with the quantum critical phenomena is also identi_x001C_fied. Using next-nearest-neighbor hopping, chemical potential, and temperature as control parameters, there is a line of Lifshitz transition associated with the change of topology of the Fermi surface. Along the Lifshitz line with t'<=0, the marginal Fermi liquid region prevails, the peak of density of states crosses the Fermi level, and the bare d-wave pairing susceptibility shows a universal scaling with the exponent consistent with theoretical proposals. For the triangular-lattice Hubbard model in the strongly correlated region, we _x001C_find a d+id superconducting pairing on the hole-doped side of the phase diagram. Here the pairing strength comes from the instabilities of the anti-ferromagnetic order (120-degree-spin structure), and the nested hexagon-deformed Fermi surface with the triangular symmetry further boosts the d+id symmetry. Due to the strong competition between electronic interactions and geometric frustrations, the superconductivity and other novel features of the system equal to or above half fi_x001C_lling requires future studies. The numerical tool we apply to study these systems is the dynamical cluster approximation with continuous-time quantum Monte Carlo as the solver. Our approach includes nonlocal correlations embedded in a mean _x001C_field host and is a most up-to-date and reliable approach in dealing with the above mentioned strongly correlated systems valid in the thermodynamic limit. Our _x001C_findings shine light on future investigations of the nature

Civil War Book Review•Jun 17, 2013•0 citations

Extensions of Numerical Methods for Strongly Correlated Electron Systems

Karlis Mikelsons

This work presents extensions of the numerical methods for strongly correlated electron systems.The first part of the thesis discusses extensions and applications of the quantum cluster theories to the systems of classical spins.It is shown that such extensions can provide faster convergence through better estimation of the effects of fluctuations, yet they can also possess shortcomings which limit their application in the studies of the phase transitions.The second part of the thesis is dedicated to the numerical studies of the Hubbard model.Present Quantum Monte Carlo methods are reviewed and relationships among them are elucidated.The final part of the thesis contains the application of the developed numerical methods to investigate the phase diagram of the two-dimensional Hubbard model, especially the evidence of the Quantum Critical Point (QCP) at a finite doping.High accuracy results for thermodynamic quantities are presented in support of the existence of the QCP at a finite doping in two-dimensional Hubbard model.The relation of the QCP to the charge fluctuations is revealed and a mechanism that relates QCP to incipient phase separation is proposed.I am thankful to the University of Cincinnati for giving me the opportunity to pursue my studies, and for providing all the resources and support for my education and

•Jan 1, 2009•4 citations
Many properties of the two-dimensional Hubbard model have been explored for the model parameters appropriate for strongly correlated electronic systems, especially cuprate superconductors.Most of the calculations are done using a well-established dynamical cluster quantum Monte Carlo method.Using this method, we investigate the effect of long-range hoppings on superconductivity with and without the presence of phonons on small clusters.The superconducting transition temperature, T c , is found to generally decrease with a negative next nearest neighbor hopping, t ′ .In the presence of the Holstein phonons, a finite t ′ enhances T c in the under-doped region for the hole-doped system, consistent with band structure calculations and experiment.The validity of the spin-susceptibility-mediated pairing in this model is studied and found to yield symmetries other than d-wave when a finite t ′ is considered.A new numerical algorithm for solving the embedded cluster problems is introduced, and used to calculate the thermodynamic properties of the model on larger clusters, especially those associated with the quantum critical behavior at finite doping.Our results suggest that the quantum critical point (QCP) which separates the Fermi liquid and pseudogap regions, is the second order terminus of the line of first order phase separation transition in the limit when a positive t ′ goes to zero.For small t ′ , the superconducting dome is centered at the QCP, suggesting that charge fluctuations might have a role in the pairing mechanism in this model.I am very thankful to University of Cincinnati for providing me with the opportunity to pursue my education and the support I received during my program.Part of this thesis is a result of my work as a researcher at Louisiana State University.I am also thankful to them for their support.I would like to thank my adviser, Mark Jarrell, who taught me how to be an effective researcher, provided me with the opportunities to interact with other professionals and fully supported me financially for most of the duration of the
Transport measurements on the cuprates suggest the presence of a quantum critical point (QCP) hiding underneath the superconducting dome near optimal hole doping. We provide numerical evidence in support of this scenario via a dynamical cluster quantum Monte Carlo study of the extended two-dimensional Hubbard model. Single-particle quantities, such as the spectral function, the quasi-particle weight and the entropy, display a crossover between two distinct ground states: a Fermi liquid at low filling and a non-Fermi liquid with a pseudo-gap at high filling. Both states are found to cross over to a marginal Fermi-liquid state at higher temperatures. For finite next-nearest-neighbour hopping t', we find a classical critical point at temperature Tc. This classical critical point is found to be associated with a phase-separation transition between a compressible Mott gas and an incompressible Mott liquid corresponding to the Fermi liquid and the pseudo-gap state, respectively. Since the critical temperature Tc extrapolates to zero as t' vanishes, we conclude that a QCP connects the Fermi liquid to the pseudo-gap region, and that the marginal Fermi-liquid behaviour in its vicinity is the analogue of the supercritical region in the liquid-gas transition. © 2011 The Royal Society.
Transport measurements on the cuprates suggest the presence of a quantum critical point (QCP) hiding underneath the superconducting dome near optimal hole doping. We provide numerical evidence in support of this scenario via a dynamical cluster quantum Monte Carlo study of the extended two-dimensional Hubbard model. Single-particle quantities, such as the spectral function, the quasi-particle weight and the entropy, display a crossover between two distinct ground states: a Fermi liquid at low filling and a nonFermi liquid with a pseudo-gap at high filling. Both states are found to cross over to a marginal Fermi-liquid state at higher temperatures. For finite next-nearest-neighbour hopping t � , we find a classical critical point at temperature Tc. This classical critical point is found to be associated with a phase-separation transition between a compressible Mott gas and an incompressible Mott liquid corresponding to the Fermi liquid and the pseudo-gap state, respectively. Since the critical temperature Tc extrapolates to zero
In a recent publication [Chen et al., Phys. Rev. B 86, 165136 (2012)], we identified a line of Lifshitz transition points separating the Fermi liquid and pseudogap regions in the hole-doped two-dimensional Hubbard model. Here, we extend the study to further determine the superconducting transition temperature in the phase diagram. By means of large-scale dynamical cluster quantum Monte Carlo simulations, we are able to identify the evolution of the ddd-wave superconducting dome in the hole-dope side of the phase diagram, with next-nearest-neighbor hopping (${t}^{\ensuremath{'}}$), chemical potential, and temperature as control parameters. To obtain the superconducting transition temperature Tc{T}_{c}Tc​, we employ two-particle measurements of the pairing susceptibilities. As ${t}^{\ensuremath{'}}$ goes from positive to negative values, we find the ddd-wave projected irreducible pairing vertex function is enhanced, and the curvature of its doping dependence changes from convex to concave, which fixes the position of the maximum superconducting temperature at the same filling ($n\ensuremath{\approx}0.85$) and constraints the dome from precisely following the Lifshitz line. We furthermore decompose the irreducible vertex function into fully irreducible, charge and spin components via the parquet equations, and consistently find that the spin component dominates the pairing vertex function in the doping range where the dome is located. Our investigations deepen the understanding of the phase diagram of the two-dimensional Hubbard model and, more importantly, pose new questions to the field. For example, we found as ${t}^{\ensuremath{'}}$ goes from positive to negative values, the curvature of the pairing strength as a function of doping changes from convex to concave, and the nature of the dominant fluctuations changes from charge degree of freedom to spin degree of freedom. The study of these issues will lead to further understanding of the phase diagram of the two-dimensional Hubbard model and also the physics of the hole-doped cuprate high-temperature superconductors.
We present recent theoretical results on superconductivity in correlated-electron systems, especially in the two-dimensional Hubbard model and the three-band d-p model. The mechanism of superconductivity in high-temperature superconductors has been extensively studied on the basis of various electronic models and also electron-phonon models. In this study, we investigate the properties of superconductivity in correlated-electron systems by using numerical methods such as the variational Monte Carlo method and the quantum Monte Carlomethod. The Hubbard model is one of basic models for strongly correlated electron systems, and is regarded as the model of cuprate high temperature superconductors. The d-p model is more realistic model for cuprates. The superconducting condensation energy obtained by adopting the Gutzwiller ansatz is in reasonable agreement with the condensation energy estimated for YBa2Cu3O7. We show the phase diagram of the ground state using this method. We have further investigated the stability of striped and checkerboard states in the under-doped region. Holes doped in a half-filled square lattice lead to an incommensurate spin and charge density wave. The relationship of the hole density x and incommensurability δ, δ~x, is satisfied in the lower doping region, as indicated by the variationalMonte Carlocalculations for the two-dimensional Hubbard model. A checkerboard-like charge-density modulation with a roughly period has also been observed by scanning tunneling microscopy experiments in Bi2212 and Na-CCOC compounds. We have performed a variational Monte Carlo simulation on a two-dimensional t-t′-t″- U Hubbard model with a Bi-2212 type band structure and found that the period checkerboard spin modulation, that is characterized by multi Q vectors, is indeed stabilized. We have further performed an investigation by using a quantumMonte Carlomethod, which is a numerical method that can be used to simulate the behavior of correlated electron systems. We present a new algorithm of the quantum Monte Carlo diagonalization that is a method for the evaluation of expectation value without the negative sign problem. We compute pair correlation functions and show that pair correlation is indeed enhanced with hole doping.
In this thesis we try to understand the unconventional superconducting mechanism on cuprates and organic superconductors (or sodium cobaltates) which can be modeled by a two-dimensional square- and triangular-lattice Hubbard model respectively. The formation of the superconducting dome requires explanations of feasible scenarios. Generally speaking, pairing strength is provided by magnetic fl_x001D_uctuations in the strongly correlated region and the structure of the Fermi surface in this region will favor superconducting pairings with a certain type of symmetry. For the cuprate physics, a superconducting dome composed of d-wave pairings has been identified experimentally. We study the Hubbard model on square lattices and _x001C_find that the pairing strength is originated from anti-ferromagnetic instabilities, and the nearly nested Fermi surface with the square symmetry further supports the d-wave pairing. Moreover, our results show there is a quantum critical point (QCP) beneath the superconducting dome. The QCP is a zero-temperature instability which separates the Fermi liquid and pseudogap regions and exhibits the quantum _x001D_fluctuations which may lead to a high superconducting transition temperature. Above the QCP, a V-shape marginal Fermi liquid region associated with the quantum critical phenomena is also identi_x001C_fied. Using next-nearest-neighbor hopping, chemical potential, and temperature as control parameters, there is a line of Lifshitz transition associated with the change of topology of the Fermi surface. Along the Lifshitz line with t'<=0, the marginal Fermi liquid region prevails, the peak of density of states crosses the Fermi level, and the bare d-wave pairing susceptibility shows a universal scaling with the exponent consistent with theoretical proposals. For the triangular-lattice Hubbard model in the strongly correlated region, we _x001C_find a d+id superconducting pairing on the hole-doped side of the phase diagram. Here the pairing strength comes from the instabilities of the anti-ferromagnetic order (120-degree-spin structure), and the nested hexagon-deformed Fermi surface with the triangular symmetry further boosts the d+id symmetry. Due to the strong competition between electronic interactions and geometric frustrations, the superconductivity and other novel features of the system equal to or above half fi_x001C_lling requires future studies. The numerical tool we apply to study these systems is the dynamical cluster approximation with continuous-time quantum Monte Carlo as the solver. Our approach includes nonlocal correlations embedded in a mean _x001C_field host and is a most up-to-date and reliable approach in dealing with the above mentioned strongly correlated systems valid in the thermodynamic limit. Our _x001C_findings shine light on future investigations of the nature
This work presents extensions of the numerical methods for strongly correlated electron systems.The first part of the thesis discusses extensions and applications of the quantum cluster theories to the systems of classical spins.It is shown that such extensions can provide faster convergence through better estimation of the effects of fluctuations, yet they can also possess shortcomings which limit their application in the studies of the phase transitions.The second part of the thesis is dedicated to the numerical studies of the Hubbard model.Present Quantum Monte Carlo methods are reviewed and relationships among them are elucidated.The final part of the thesis contains the application of the developed numerical methods to investigate the phase diagram of the two-dimensional Hubbard model, especially the evidence of the Quantum Critical Point (QCP) at a finite doping.High accuracy results for thermodynamic quantities are presented in support of the existence of the QCP at a finite doping in two-dimensional Hubbard model.The relation of the QCP to the charge fluctuations is revealed and a mechanism that relates QCP to incipient phase separation is proposed.I am thankful to the University of Cincinnati for giving me the opportunity to pursue my studies, and for providing all the resources and support for my education and