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:0802.0909 · Physical Review B

Magnetic and transport properties of a coupled Hubbard bilayer with electron and hole doping

Karim Bouadim, G. G. Batrouni, F. Hébert, R. T. Scalettar

Published Apr 30, 2008• 50 citations
arXivHTMLPDF

Abstract

The single band, two-dimensional Hubbard Hamiltonian has been extensively studied as a model for high temperature superconductivity. While quantum Monte Carlo simulations within the dynamic cluster approximation are now providing considerable evidence for a $d$-wave superconducting state at low temperature, such a transition remains well out of reach of finite lattice simulations because of the ``sign problem.'' We show here that a bilayer Hubbard model, in which one layer is electron doped and one layer is hole doped, can be studied to lower temperatures and exhibits an interesting signal of $d$-wave pairing. The results of our simulations bear resemblance to a recent report on the magnetic and superconducting properties of ${\mathrm{Ba}}_{2}{\mathrm{Ca}}_{3}{\mathrm{Cu}}_{4}{\mathrm{O}}_{8}{\mathrm{F}}_{2}$ which contains both electron and hole doped $\mathrm{Cu}{\mathrm{O}}_{2}$ planes. We also explore the phase diagram of bilayer models in which each sheet is at half-filling.

DOI
10.1103/physrevb.77.144527

Related papers

Robust charge-density-wave correlations in the electron-doped single-band Hubbard model

Peizhi Mai, Nathan Nichols, Seher Karakuzu +4 more

There is growing evidence that the hole-doped single-band Hubbard and t - J models do not have a superconducting ground state reflective of the high-temperature cuprate superconductors but instead have striped spin- and charge-ordered ground states. Nevertheless, it is proposed that these models may still provide an effective low-energy model for electron-doped materials. Here we study the finite temperature spin and charge correlations in the electron-doped Hubbard model using quantum Monte Carlo dynamical cluster approximation calculations and contrast their behavior with those found on the hole-doped side of the phase diagram. We find evidence for a charge modulation with both checkerboard and unidirectional components decoupled from any spin-density modulations. These correlations are inconsistent with a weak-coupling description based on Fermi surface nesting, and their doping dependence agrees qualitatively with resonant inelastic x-ray scattering measurements. Our results provide evidence that the single-band Hubbard model describes the electron-doped cuprates.

arXiv:2210.14930•Nature Communications•May 20, 2023•13 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

Antiferromagnetic to superconducting phase transition in the hole- and electron-doped Hubbard model at zero temperature

Markus Aichhorn, Enrico Arrigoni, Michael Potthoff +1 more

The competition between $d$-wave superconductivity (SC) and antiferromagnetism (AF) in the high-${T}_{c}$ cuprates is investigated by studying the hole- and electron-doped two-dimensional Hubbard model with a recently proposed variational quantum-cluster theory. The approach is shown to provide a thermodynamically consistent determination of the particle number, provided that an overall shift of the on-site energies is treated as a variational parameter. The consequences for the single-particle excitation spectra and for the phase diagram are explored. By comparing the single-particle spectra with quantum Monte Carlo and experimental data, we verify that the low-energy excitations in a strongly correlated electronic system are described appropriately. The cluster calculations also reproduce the overall ground-state phase diagram of the high-temperature superconductors. In particular, they include salient features such as the enhanced robustness of the antiferromagnetic state as a function of electron doping and the tendency towards phase separation into a mixed antiferromagnetic-superconducting phase at low doping and a pure superconducting phase at high (both hole and electron) doping.

arXiv:cond-mat/0511460•Physical Review B•Jul 13, 2006•154 citations

Fidelity study of the superconducting phase diagram in the two-dimensional single-band Hubbard model

Chunjing Jia, Brian Moritz, Cheng-Chien Chen +2 more

Extensive numerical studies have demonstrated that the two-dimensional single-band Hubbard model contains much of the key physics in cuprate high-temperature superconductors. However, there is no definitive proof that the Hubbard model truly possesses a superconducting ground state or, if it does, of how it depends on model parameters. To answer these longstanding questions, we study an extension of the Hubbard model including an infinite-range $d$-wave pair field term, which precipitates a superconducting state in the $d$-wave channel. Using exact diagonalization on 16-site square clusters, we study the evolution of the ground state as a function of the strength of the pairing term. This is achieved by monitoring the fidelity metric of the ground state, as well as determining the ratio between the two largest eigenvalues of the $d$-wave pair/spin/charge-density matrices. The calculations show a $d$-wave superconducting ground state in doped clusters bracketed by a strong antiferromagnetic state at half filling controlled by the Coulomb repulsion $U$ and a weak short-range checkerboard charge ordered state at larger hole doping controlled by the next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$. We also demonstrate that negative ${t}^{\ensuremath{'}}$ plays an important role in facilitating $d$-wave superconductivity.

arXiv:1012.4013•Physical Review B•Sep 9, 2011•24 citations

Anomalous low-doping phase of the Hubbard model

C. Gröber, R. Eder, Werner R. Hanke

We present results of a systematic quantum Monte Carlo study for the single-band Hubbard model. Thereby we evaluated single-particle spectra (PES and IPES), two-particle spectra (spin and density correlation functions), and the dynamical correlation function of suitably defined diagnostic operators, all as a function of temperature and hole doping. The results allow us to identify different physical regimes. Near half-filling we find an anomalous ``Hubbard-I phase,'' where the band structure is, up to some minor modifications, consistent with the Hubbard-I predictions. At lower temperatures, where the spin response becomes sharp, additional dispersionless ``bands'' emerge due to the dressing of electrons/holes with spin excitations. We present a simple phenomenological fit that reproduces the band structure of the insulator quantitatively. The Fermi surface volume in the low-doping phase, as derived from the single-particle spectral function, is not consistent with the Luttinger theorem, but qualitatively in agreement with the predictions of the Hubbard-I approximation. The anomalous phase extends up to a hole concentration of $\ensuremath{\approx}15%,$ i.e., the underdoped region in the phase diagram of high-${T}_{c}$ superconductors. We also investigate the nature of the magnetic ordering transition in the single-particle spectra. We show that the transition to a spin-density wave-like band structure is not accomplished by the formation of any resolvable ``precursor bands,'' but rather by a (spectroscopically invisible) band of spin-3/2 quasiparticles. We discuss implications for the ``remnant Fermi surface'' in insulating cuprate compounds and the shadow bands in the doped materials.

arXiv:cond-mat/0001366•Physical review. B, Condensed matter•Aug 15, 2000•137 citations

Superconductivity in the bilayer Hubbard model: Two Fermi surfaces are better than one

Seher Karakuzu, Steven Johnston, Thomas Maier

Fully occupied or unoccupied bands in a solid are often considered inert and irrelevant to a material's low-energy properties. But the discovery of enhanced superconductivity in heavily electron-doped FeSe-derived superconductors poses questions about the possible role of incipient bands (those laying close to but not crossing the Fermi level) in pairing. To answer this question, researchers have studied pairing correlations in the bilayer Hubbard model, which has an incipient band for large interlayer hopping ${t}_{\ensuremath{\perp}}$, using many-body perturbation theory and variational methods. They have generally found that superconductivity is enhanced as one of the bands approaches the Lifshitz transition and even when it becomes incipient. Here we address this question using the nonperturbative quantum Monte Carlo (QMC) dynamical cluster approximation (DCA) to study the bilayer Hubbard model's pairing correlations. We find that the model has robust ${s}^{\ifmmode\pm\else\textpm\fi{}}$ pairing correlations in the large ${t}_{\ensuremath{\perp}}$ limit, which can become stronger as one band is made incipient. While this behavior is linked to changes in the effective interaction, we further find that it is counteracted by a suppression of the intrinsic pair-field susceptibility and does not translate to an increased ${T}_{c}$. Our results demonstrate that the highest achievable transition temperatures in the bilayer Hubbard model occur when the system has two bands crossing the Fermi level.

Physical review. B./Physical review. B•Dec 6, 2021•20 citations
The single band, two-dimensional Hubbard Hamiltonian has been extensively studied as a model for high temperature superconductivity. While quantum Monte Carlo simulations within the dynamic cluster approximation are now providing considerable evidence for a ddd-wave superconducting state at low temperature, such a transition remains well out of reach of finite lattice simulations because of the ``sign problem.'' We show here that a bilayer Hubbard model, in which one layer is electron doped and one layer is hole doped, can be studied to lower temperatures and exhibits an interesting signal of ddd-wave pairing. The results of our simulations bear resemblance to a recent report on the magnetic and superconducting properties of Ba2Ca3Cu4O8F2{\mathrm{Ba}}_{2}{\mathrm{Ca}}_{3}{\mathrm{Cu}}_{4}{\mathrm{O}}_{8}{\mathrm{F}}_{2}Ba2​Ca3​Cu4​O8​F2​ which contains both electron and hole doped CuO2\mathrm{Cu}{\mathrm{O}}_{2}CuO2​ planes. We also explore the phase diagram of bilayer models in which each sheet is at half-filling.
There is growing evidence that the hole-doped single-band Hubbard and t - J models do not have a superconducting ground state reflective of the high-temperature cuprate superconductors but instead have striped spin- and charge-ordered ground states. Nevertheless, it is proposed that these models may still provide an effective low-energy model for electron-doped materials. Here we study the finite temperature spin and charge correlations in the electron-doped Hubbard model using quantum Monte Carlo dynamical cluster approximation calculations and contrast their behavior with those found on the hole-doped side of the phase diagram. We find evidence for a charge modulation with both checkerboard and unidirectional components decoupled from any spin-density modulations. These correlations are inconsistent with a weak-coupling description based on Fermi surface nesting, and their doping dependence agrees qualitatively with resonant inelastic x-ray scattering measurements. Our results provide evidence that the single-band Hubbard model describes the electron-doped cuprates.
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.
The competition between ddd-wave superconductivity (SC) and antiferromagnetism (AF) in the high-Tc{T}_{c}Tc​ cuprates is investigated by studying the hole- and electron-doped two-dimensional Hubbard model with a recently proposed variational quantum-cluster theory. The approach is shown to provide a thermodynamically consistent determination of the particle number, provided that an overall shift of the on-site energies is treated as a variational parameter. The consequences for the single-particle excitation spectra and for the phase diagram are explored. By comparing the single-particle spectra with quantum Monte Carlo and experimental data, we verify that the low-energy excitations in a strongly correlated electronic system are described appropriately. The cluster calculations also reproduce the overall ground-state phase diagram of the high-temperature superconductors. In particular, they include salient features such as the enhanced robustness of the antiferromagnetic state as a function of electron doping and the tendency towards phase separation into a mixed antiferromagnetic-superconducting phase at low doping and a pure superconducting phase at high (both hole and electron) doping.
Extensive numerical studies have demonstrated that the two-dimensional single-band Hubbard model contains much of the key physics in cuprate high-temperature superconductors. However, there is no definitive proof that the Hubbard model truly possesses a superconducting ground state or, if it does, of how it depends on model parameters. To answer these longstanding questions, we study an extension of the Hubbard model including an infinite-range ddd-wave pair field term, which precipitates a superconducting state in the ddd-wave channel. Using exact diagonalization on 16-site square clusters, we study the evolution of the ground state as a function of the strength of the pairing term. This is achieved by monitoring the fidelity metric of the ground state, as well as determining the ratio between the two largest eigenvalues of the ddd-wave pair/spin/charge-density matrices. The calculations show a ddd-wave superconducting ground state in doped clusters bracketed by a strong antiferromagnetic state at half filling controlled by the Coulomb repulsion UUU and a weak short-range checkerboard charge ordered state at larger hole doping controlled by the next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$. We also demonstrate that negative ${t}^{\ensuremath{'}}$ plays an important role in facilitating ddd-wave superconductivity.
We present results of a systematic quantum Monte Carlo study for the single-band Hubbard model. Thereby we evaluated single-particle spectra (PES and IPES), two-particle spectra (spin and density correlation functions), and the dynamical correlation function of suitably defined diagnostic operators, all as a function of temperature and hole doping. The results allow us to identify different physical regimes. Near half-filling we find an anomalous ``Hubbard-I phase,'' where the band structure is, up to some minor modifications, consistent with the Hubbard-I predictions. At lower temperatures, where the spin response becomes sharp, additional dispersionless ``bands'' emerge due to the dressing of electrons/holes with spin excitations. We present a simple phenomenological fit that reproduces the band structure of the insulator quantitatively. The Fermi surface volume in the low-doping phase, as derived from the single-particle spectral function, is not consistent with the Luttinger theorem, but qualitatively in agreement with the predictions of the Hubbard-I approximation. The anomalous phase extends up to a hole concentration of $\ensuremath{\approx}15%,$ i.e., the underdoped region in the phase diagram of high-Tc{T}_{c}Tc​ superconductors. We also investigate the nature of the magnetic ordering transition in the single-particle spectra. We show that the transition to a spin-density wave-like band structure is not accomplished by the formation of any resolvable ``precursor bands,'' but rather by a (spectroscopically invisible) band of spin-3/2 quasiparticles. We discuss implications for the ``remnant Fermi surface'' in insulating cuprate compounds and the shadow bands in the doped materials.
Fully occupied or unoccupied bands in a solid are often considered inert and irrelevant to a material's low-energy properties. But the discovery of enhanced superconductivity in heavily electron-doped FeSe-derived superconductors poses questions about the possible role of incipient bands (those laying close to but not crossing the Fermi level) in pairing. To answer this question, researchers have studied pairing correlations in the bilayer Hubbard model, which has an incipient band for large interlayer hopping ${t}_{\ensuremath{\perp}}$, using many-body perturbation theory and variational methods. They have generally found that superconductivity is enhanced as one of the bands approaches the Lifshitz transition and even when it becomes incipient. Here we address this question using the nonperturbative quantum Monte Carlo (QMC) dynamical cluster approximation (DCA) to study the bilayer Hubbard model's pairing correlations. We find that the model has robust ${s}^{\ifmmode\pm\else\textpm\fi{}}$ pairing correlations in the large ${t}_{\ensuremath{\perp}}$ limit, which can become stronger as one band is made incipient. While this behavior is linked to changes in the effective interaction, we further find that it is counteracted by a suppression of the intrinsic pair-field susceptibility and does not translate to an increased Tc{T}_{c}Tc​. Our results demonstrate that the highest achievable transition temperatures in the bilayer Hubbard model occur when the system has two bands crossing the Fermi level.