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arXiv:0706.0241 · Physical Review B

Systematic analysis of a spin-susceptibility representation of the pairing interaction in the two-dimensional Hubbard model

Thomas Maier, Alexandru Macridin, Mark Jarrell, Douglas J. Scalapino

Published Oct 31, 2007• 47 citations
arXivHTMLPDF

Abstract

A dynamic cluster quantum Monte Carlo algorithm is used to study a spin-susceptibility representation of the pairing interaction for the two-dimensional Hubbard model with an on-site Coulomb interaction equal to the bandwidth for various doping levels. We find that the pairing interaction is well approximated by $\frac{3}{2}\overline{U}{(T)}^{2}\ensuremath{\chi}(K\ensuremath{-}{K}^{\ensuremath{'}})$, with an effective temperature and doping dependent coupling $\overline{U}(T)$ and the numerically calculated spin susceptibility $\ensuremath{\chi}(K\ensuremath{-}{K}^{\ensuremath{'}})$. We show that at low temperatures, $\overline{U}$ may be accurately determined from a corresponding spin-susceptibility based calculation of the single-particle self-energy. We conclude that the strength of the $d$-wave pairing interaction, characterized by the mean-field transition temperature, can be determined from a knowledge of the dressed spin susceptibility and the nodal quasiparticle spectral weight. This has important implications with respect to the questions of whether spin fluctuations are responsible for pairing in the high-${T}_{c}$ cuprates.

DOI
10.1103/physrevb.76.144516

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A dynamic cluster quantum Monte Carlo algorithm is used to study a spin-susceptibility representation of the pairing interaction for the two-dimensional Hubbard model with an on-site Coulomb interaction equal to the bandwidth for various doping levels. We find that the pairing interaction is well approximated by 32U‾(T)2\ensuremathχ(K\ensuremath−K\ensuremath′)\frac{3}{2}\overline{U}{(T)}^{2}\ensuremath{\chi}(K\ensuremath{-}{K}^{\ensuremath{'}})23​U(T)2\ensuremathχ(K\ensuremath−K\ensuremath′), with an effective temperature and doping dependent coupling U‾(T)\overline{U}(T)U(T) and the numerically calculated spin susceptibility \ensuremathχ(K\ensuremath−K\ensuremath′)\ensuremath{\chi}(K\ensuremath{-}{K}^{\ensuremath{'}})\ensuremathχ(K\ensuremath−K\ensuremath′). We show that at low temperatures, U‾\overline{U}U may be accurately determined from a corresponding spin-susceptibility based calculation of the single-particle self-energy. We conclude that the strength of the ddd-wave pairing interaction, characterized by the mean-field transition temperature, can be determined from a knowledge of the dressed spin susceptibility and the nodal quasiparticle spectral weight. This has important implications with respect to the questions of whether spin fluctuations are responsible for pairing in the high-Tc{T}_{c}Tc​ cuprates.
Using numerical dynamic cluster quantum Monte Carlo results, we study a simple approximation for the pairing interaction of a two-dimensional Hubbard model with an on-site Coulomb interaction UUU equal to the bandwidth. We find that with an effective temperature-dependent coupling U‾(T)\overline{U}(T)U(T) and the numerically calculated spin susceptibility $\ensuremath{\chi}(K\ensuremath{-}{K}^{\ensuremath{'}})$, the ddd-wave pairing interaction is well approximated by $\frac{3}{2}{\overline{U}}^{2}\ensuremath{\chi}(K\ensuremath{-}{K}^{\ensuremath{'}})$.
A dynamic cluster quantum Monte Carlo approximation is used to study the effective pairing interaction of a two-dimensional Hubbard model with a near neighbor hopping ttt and an onsite Coulomb interaction UUU. The effective pairing interaction is characterized in terms of the momentum and frequency dependence of the eigenfunction of the leading eigenvalue of the irreducible particle-particle vertex. The momentum dependence of this eigenfunction is found to vary as (coskx−−cosky)(\mathrm{cos}\phantom{\rule{0.2em}{0ex}}{k}_{x}--\mathrm{cos}\phantom{\rule{0.2em}{0ex}}{k}_{y})(coskx​−−cosky​) over most of the Brillouin zone and its frequency dependence is determined by the S=1S=1S=1 particle-hole continuum which for large UUU varies as several times JJJ. This implies that the effective pairing interaction is attractive for singlets formed between near-neighbor sites and retarded on a time scale set by ${(2J)}^{\ensuremath{-}1}$. The strength of the pairing interaction measured by the size of the ddd-wave eigenvalue peaks for UUU of order of the bandwidth 8t8t8t. It is found to increase as the system is underdoped.
We study the three-band Hubbard model for the copper oxide plane of the high-temperature superconducting cuprates using determinant quantum Monte Carlo and the dynamical cluster approximation (DCA) and provide a comprehensive view of the pairing correlations in this model using these methods. Specifically, we compute the pair-field susceptibility and study its dependence on temperature, doping, interaction strength, and charge-transfer energy. Using the DCA, we also solve the Bethe-Salpeter equation for the two-particle Green's function in the particle-particle channel to determine the transition temperature to the superconducting phase on smaller clusters. Our calculations reproduce many aspects of the cuprate phase diagram and indicate that there is an ``optimal'' value of the charge-transfer energy for the model where Tc{T}_{c}Tc​ is largest. These results have implications for our understanding of superconductivity in both the cuprates and other doped charge-transfer insulators.
This thesis is dedicated to a theoretical study of the 1-band Hubbard model in the strong coupling limit. The investigation is based on the Dynamical Cluster Approximation (DCA) which systematically restores non-local corrections to the Dynamical Mean Field approximation (DMFA). The DCA is formulated in momentum space and is characterised by a patching of the Brillouin zone where momentum conservation is only recovered between two patches. The approximation works well if k-space correlation functions show a weak momentum dependence. In order to study the temperature and doping dependence of the spin- and charge excitation spectra, we explicitly extend the Dynamical Cluster Approximation to two-particle response functions. The full irreducible two-particle vertex with three momenta and frequencies is approximated by an effective vertex dependent on the momentum and frequency of the spin and/or charge excitations. The effective vertex is calculated by using the Quantum Monte Carlo method on the finite cluster whereas the analytical continuation of dynamical quantities is performed by a stochastic version of the maximum entropy method. A comparison with high temperature auxiliary field quantum Monte Carlo data serves as a benchmark for our approach to two-particle correlation functions. Our method can reproduce basic characteristics of the spin- and charge excitation spectrum. Near and beyond optimal doping, our results provide a consistent overall picture of the interplay between charge, spin and single-particle excitations: a collective spin mode emerges at optimal doping and sufficiently low temperatures in the spin response spectrum and exhibits the energy scale of the magnetic exchange interaction J. Simultaneously, the low energy single-particle excitations are characterised by a coherent quasiparticle with bandwidth J. The origin of the quasiparticle can be quite well understood in a picture of a more or less antiferromagnetic ordered background in which holes are dressed by spin-excitations to allow for a coherent motion. By increasing doping, all features which are linked to the spin-polaron vanish in the single-particle as well as two-particle spin response spectrum. In the second part of the thesis an analysis of superconductivity in the Hubbard model is presented. The superconducting instability is implemented within the Dynamical Cluster Approximation by essentially allowing U(1) symmetry breaking baths in the QMC calculations for the cluster. The superconducting transition temperature T_c is derived from the d-wave order parameter which is directly estimated on the Monte Carlo cluster. The critical temperature T_c is in astonishing agreement with the temperature scale estimated by the divergence of the pair-field susceptibility in the paramagnetic phase. A detailed study of the pseudo and superconducting gap is continued by the investigation of the local and angle-resolved spectral function.
Monte Carlo results for a two-dimensional Hubbard model in the intermediate-coupling regime U=4t are compared with a diagrammatic spin-fluctuation approximation. Simulations on an 8\ifmmode\times\else\texttimes\fi{}8 lattice doped away from half filling were carried out down to temperatures of order 140 of the bandwidth. Results for the spin susceptibility \ensuremath{\chi}(q,i\ensuremath{\omega}m{}_{\mathrm{m}}m​), the electron self-energy \ensuremath{\Sigma}(p,i\ensuremath{\omega}n{}_{\mathrm{n}}n​), various pair-field susceptibilities, and the irreducible particle-particle scattering vertex \ensuremath{\Gamma}(p\ensuremath{'},i\ensuremath{\omega}${}_{\mathrm{n}\ensuremath{'}}$|p,i\ensuremath{\omega}n{}_{\mathrm{n}}n​) were obtained. A random-phase approximation for \ensuremath{\chi}(q,i\ensuremath{\omega}m{}_{\mathrm{m}}m​) with a renormalized Coulomb coupling U\ifmmode\bar\else\textasciimacron\fi{} is shown to provide a fit to the Monte Carlo data. A similar approximation for the Berk-Schrieffer spin-fluctuation interaction also provides a reasonable fit to the self-energy \ensuremath{\Sigma}(p,i\ensuremath{\omega}n{}_{\mathrm{n}}n​) in the region explored by the Monte Carlo data. However, a similar approximation for the irreducible particle-particle interaction failed to reproduce the Monte Carlo results. Higher-order vertex corrections were calculated, but significant discrepancies with Monte Carlo results for \ensuremath{\Gamma} remain.
Here we discuss Quantum Monte Carlo results for the magnetic susceptibility, single-particle spectral weight and the irreducible particle-particle interaction vertex of the two-dimensional Hubbard model. In the doped system, as the temperature is lowered below J=4t^2/U, short-range antiferromagnetic correlations develop. These lead to a narrow low-energy quasiparticle band with a large Fermi surface and a particle-particle vertex which increases at large momentum transfer, which favor d_{x^2-y^2}-pairing.