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Mean field solutions to singlet hopping and superconducting pairing within a two-band Hubbard model

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 Added by Gheorghe Adam
 Publication date 2006
  fields Physics
and research's language is English




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The mean field Green function solution of the two-band singlet-hole Hubbard model for high-$Tsb{c}$ superconductivity in cuprates (Plakida, N.M. et al., Phys. Rev. B51, 16599 (1995), JETP 97, 331 (2003)) involves expressions of higher order correlation functions describing respectively the singlet hopping and the superconducting pairing. Rigorous derivation of their values is reported based on the finding that specific invariant classes of polynomial Green functions in terms of the Wannier overlap coefficients $ usb{ij}$ exist.



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The Green function (GF) equation of motion technique for solving the effective two-band Hubbard model of high-T_c superconductivity in cuprates [N.M. Plakida et al., Phys. Rev. B, v. 51, 16599 (1995); JETP, v. 97, 331 (2003)] rests on the Hubbard operator (HO) algebra. We show that, if we take into account the invariance to translations and spin reversal, the HO algebra results in invariance properties of several specific correlation functions. The use of these properties allows rigorous derivation and simplification of the expressions of the frequency matrix (FM) and of the generalized mean field approximation (GMFA) Green functions (GFs) of the model. For the normal singlet hopping and anomalous exchange pairing correlation functions which enter the FM and GMFA-GFs, an approximation procedure based on the identification and elimination of exponentially small quantities is described. It secures the reduction of the correlation order to GMFA-GF expressions.
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 Greens 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 $T_c$ is largest. These results have implications for our understanding of superconductivity in both the cuprates and other doped charge-transfer insulators.
We study the phase diagram of the extended Hubbard model on a two-dimensional square lattice, including on-site (U) and nearest-neighbor (V) interactions, at weak couplings. We show that the charge-density-wave phase that is known to occur at half-filling when 4V > U gives way to a d_{xy} -wave superconducting instability away from half-filling, when the Fermi surface is not perfectly nested, and for sufficiently large repulsive and a range of on-site repulsive interaction. In addition, when nesting is further suppressed and in presence of a nearest-neighbor attraction, a triplet time-reversal breaking (p_x + ip_y)-wave pairing instability emerges, competing with the d_{x2+y2} pairing state that is known to dominate at fillings just slightly away from half. At even smaller fillings, where the Fermi surface no longer presents any nesting, the (p_x +ip_y)-wave superconducting phase dominates in the whole regime of on-site repulsions and nearest-neighbor attractions, while d_{xy}-pairing occurs in the presence of on-site attraction. Our results suggest that zero-energy Majorana fermions can be realized on a square lattice in the presence of a magnetic field. For a system of cold fermionic atoms on a two-dimensional square optical lattice, both an on-site repulsion and a nearest-neighbor attraction would be required, in addition to rotation of the system to create vortices. We discuss possible ways of experimentally engineering the required interaction terms in a cold atom system.
198 - E. Khatami , A. Macridin , 2009
We study the effect of long-range hoppings on Tc for the two-dimensional (2D) Hubbard model with and without Holstein phonons using parameters evaluated from band-structure calculations for cuprates. Employing the dynamical cluster approximation (DCA) with a quantum Monte Carlo (QMC) cluster solver for a 4-site cluster, we observe that without phonons, the long-range hoppings, t and t, generally suppress Tc. We argue that this trend remains valid for larger clusters. In the presence of the Holstein phonons, a finite t enhances Tc in the under-doped region for the hole-doped system, consistent with local-density approximation (LDA) calculations and experiment. This is interpreted through the suppression of antiferromagnetic (AF) correlations and the interplay between polaronic effects and the antiferromagnetism.
With the purpose of investigating coexistence between magnetic order and superconductivity, we consider a model in which conduction electrons interact with each other, via an attractive Hubbard on-site coupling $U$, and with local moments on every site, via a Kondo-like coupling, $J$. The model is solved on a simple cubic lattice through a Hartree-Fock approximation, within a `semi-classical framework which allows spiral magnetic modes to be stabilized. For a fixed electronic density, $n_c$, the small $J$ region of the ground state ($T=0$) phase diagram displays spiral antiferromagnetic (SAFM) states for small $U$. Upon increasing $U$, a state with coexistence between superconductivity (SC) and SAFM sets in; further increase in $U$ turns the spiral mode into a Neel antiferromagnet. The large $J$ region is a (singlet) Kondo phase. At finite temperatures, and in the region of coexistence, thermal fluctuations suppress the different ordered phases in succession: the SAFM phase at lower temperatures and SC at higher temperatures; also, reentrant behaviour is found to be induced by temperature. Our results provide a qualitative description of the competition between local moment magnetism and superconductivity in the borocarbides family.
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