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Physica C Superconductivity

Superconducting transition as a two-dimensional Kosterlitz–Thouless transition evidenced by quantum Monte Carlo calculations of susceptibilities in two-dimensional Hubbard model

Takashi Yanagisawa

Published Jan 15, 2010• 0 citations
Publisher
DOI
10.1016/j.physc.2010.01.017

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Based on extensions of quantum Monte Carlo algorithms to incorporate magnetic fields, two criteria to detect superconductivity in two-dimensional Hubbard models are investigated. In order to provide such criteria, we calculate both the internal energy E(\ensuremath{\Phi},T) as well as the ground-state energy, ${\mathit{E}}_{0}$(\ensuremath{\Phi}), for Hubbard models on a cylinder geometry threaded by a flux \ensuremath{\Phi}. The temperature derivative of the superfluid density, \ensuremath{\partial}\ensuremath{\beta}${\mathit{D}}_{\mathit{s}}$(\ensuremath{\beta})/\ensuremath{\partial}\ensuremath{\beta}, is obtained from the difference in internal energy of systems which differ by a phase twist \ensuremath{\pi}/2 in the boundary condition along one lattice direction. In the framework of a Kosterlitz-Thouless transition, \ensuremath{\partial}\ensuremath{\beta}${\mathit{D}}_{\mathit{x}}$(\ensuremath{\beta})/\ensuremath{\partial}\ensuremath{\beta} scales to a Dirac \ensuremath{\delta} function at the transition temperature. On finite-sized lattices, \ensuremath{\partial}\ensuremath{\beta}${\mathit{D}}_{\mathit{s}}$(\ensuremath{\beta})/\ensuremath{\partial}\ensuremath{\beta} shows a response which increases with lattice size. Flux quantization is a T=0 method. From the functional form of ${\mathit{E}}_{0}$(\ensuremath{\Phi}), superconducting or nonsuperconducting ground states may be identified. In both approaches, superconductivity may be detected without prior knowledge of the symmetry and nature of the pairing correlations. For single-band Hubbard models, our main quantum Monte Carlo results include numerical data which (a) confirm the existence and pin down the transition temperature of a Kosterlitz-Thouless-type transition in the attractive Hubbard model away from half-band filling and (b) show that the quarter-filled repulsive Hubbard model is not superconducting. For the three-band Hubbard model we consider two parameter sets which take into account the differences in static magnetic structure and Fermi surfaces between La-Sr-Cu-O and Y-Ba-Cu-O materials. For both parameter sets, the finite-temperature approach showed no sign of a Kosterlitz-Thouless-type transition up to inverse temperatures \ensuremath{\beta}=17.5, in units of the Cu-O hopping, and hole doping \ensuremath{\delta}=0.25. Flux quantization results for the Y-Ba-Cu-O parameters on clusters up to 8\ifmmode\times\else\texttimes\fi{}8 unit cells equally showed no sign of superconductivity at a hole doping \ensuremath{\delta}=0.25.

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Susceptibilities in the static limit ω→0 are evaluated to show that the superconducting Kosterlitz–Thouless transition exists in the two-dimensional Hubbard model for optimal band parameters. By using quantum Monte Carlo methods, we have examined the size dependence of the spin susceptibility χ( Q ) at half filling and the pair susceptibilities with d - and s -wave symmetries for the repulsive and attractive interactions, respectively. The numerical results for systems of up to 14×14 sites show that the s -wave pair susceptibility scales as χ pair ∼ L 2 for the attractive case, in agreement with previous quantum Monte Carlo studies. The scaling χ pair ∼ L 2 also holds for the d -wave pair susceptibility for the repulsive Hubbard model if we adjust the band parameter t '. Therefore, it is likely that the superconducting Kosterlitz–Thouless transition exists in the two-dimensional repulsive Hubbard model.
We study the superconducting Kosterlitz-Thouless (KT) transition of the attractive Hubbard model on a two-dimensional triangular lattice using auxiliary field quantum Monte Carlo method for system sizes up to $14\ifmmode\times\else\texttimes\fi{}14$ sites. Combining three methods to analyze the numerical data, we find, for the attractive interaction of $U=\ensuremath{-}4t$, that the transition temperature is broadly maximized around the band filling of 1.2<n<1.61.2<n<1.61.2<n<1.6, while it is found to be rather low in the range of n<1n<1n<1 and n>1.8n>1.8n>1.8. We discuss that this band filling dependence may be explained in terms of the band filling dependence of the superfluid density and the effective mass. Our analysis also teaches us that the estimation of the KT transition temperature requires some caution when the density of states near the Fermi level is small and the calculation is restricted to small system sizes.
Based on extensions of quantum Monte Carlo algorithms to incorporate magnetic fields, two criteria to detect superconductivity in two-dimensional Hubbard models are investigated. In order to provide such criteria, we calculate both the internal energy E(\ensuremath{\Phi},T) as well as the ground-state energy, E0{\mathit{E}}_{0}E0​(\ensuremath{\Phi}), for Hubbard models on a cylinder geometry threaded by a flux \ensuremath{\Phi}. The temperature derivative of the superfluid density, \ensuremath{\partial}\ensuremath{\beta}Ds{\mathit{D}}_{\mathit{s}}Ds​(\ensuremath{\beta})/\ensuremath{\partial}\ensuremath{\beta}, is obtained from the difference in internal energy of systems which differ by a phase twist \ensuremath{\pi}/2 in the boundary condition along one lattice direction. In the framework of a Kosterlitz-Thouless transition, \ensuremath{\partial}\ensuremath{\beta}Dx{\mathit{D}}_{\mathit{x}}Dx​(\ensuremath{\beta})/\ensuremath{\partial}\ensuremath{\beta} scales to a Dirac \ensuremath{\delta} function at the transition temperature. On finite-sized lattices, \ensuremath{\partial}\ensuremath{\beta}Ds{\mathit{D}}_{\mathit{s}}Ds​(\ensuremath{\beta})/\ensuremath{\partial}\ensuremath{\beta} shows a response which increases with lattice size. Flux quantization is a T=0 method. From the functional form of E0{\mathit{E}}_{0}E0​(\ensuremath{\Phi}), superconducting or nonsuperconducting ground states may be identified. In both approaches, superconductivity may be detected without prior knowledge of the symmetry and nature of the pairing correlations. For single-band Hubbard models, our main quantum Monte Carlo results include numerical data which (a) confirm the existence and pin down the transition temperature of a Kosterlitz-Thouless-type transition in the attractive Hubbard model away from half-band filling and (b) show that the quarter-filled repulsive Hubbard model is not superconducting. For the three-band Hubbard model we consider two parameter sets which take into account the differences in static magnetic structure and Fermi surfaces between La-Sr-Cu-O and Y-Ba-Cu-O materials. For both parameter sets, the finite-temperature approach showed no sign of a Kosterlitz-Thouless-type transition up to inverse temperatures \ensuremath{\beta}=17.5, in units of the Cu-O hopping, and hole doping \ensuremath{\delta}=0.25. Flux quantization results for the Y-Ba-Cu-O parameters on clusters up to 8\ifmmode\times\else\texttimes\fi{}8 unit cells equally showed no sign of superconductivity at a hole doping \ensuremath{\delta}=0.25.