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Journal of the Physical Society of Japan

Superconductivity and Antiferromagnetism in an Extended Gutzwiller Approximation fort–JModel: Effect of Double-Occupancy Exclusion

Masao Ogata, Akihiro Himeda

Published Feb 15, 2003• 74 citations
Publisher

Abstract

The ground state of two-dimensional t – J model including superconductivity and antiferromagnetism is studied using a new type of analytic estimation of the effect of strong correlation. The method is an extension of the Gutzwiller approximation which gives renormalization of parameters, t and J , due to the Gutzwiller projection operator excluding double occupancies. It is shown that the essential point of the renormalization is its dependence on the expectation values of superconductivity and antiferromagnetic moment. In special the renormalization factor is anisotropic in spin space, which leads to a reliable estimate of antiferromagnetic order parameters in the phase diagram, in contrast to the conventional slave-boson mean-field theory. The obtained phase diagram shows the coexistence of antiferromagnetism and d x 2 - y 2 -wave superconductivity for the doping rate, δ, less than 10%. At half-filling, the renormalization of the J -term represents some aspects of quantum spin nature. For the finite doping case, there are two kinds of superconducting order parameters. The variational order parameter of the d-wave superconductivity increases as the doping rate decreases, which will correspond to the experimentally observed superconducting gap. In contrast, the actual expectation value of superconducting order parameter is proportional to δ in underdoped region and has a maximum near δ=0.11, which probably determines T c . We also speculate that the ground-state antiferromagnetic order, being destroyed at finite temperatures, gives the energy and temperature scale of the pseudogap. Applications to the inhomogeneous systems such as the vortex state and stripe state are discussed.

DOI
10.1143/jpsj.72.374

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Journal of Physics Condensed Matter•Nov 18, 2011•5 citations
The ground state of two-dimensional t – J model including superconductivity and antiferromagnetism is studied using a new type of analytic estimation of the effect of strong correlation. The method is an extension of the Gutzwiller approximation which gives renormalization of parameters, t and J , due to the Gutzwiller projection operator excluding double occupancies. It is shown that the essential point of the renormalization is its dependence on the expectation values of superconductivity and antiferromagnetic moment. In special the renormalization factor is anisotropic in spin space, which leads to a reliable estimate of antiferromagnetic order parameters in the phase diagram, in contrast to the conventional slave-boson mean-field theory. The obtained phase diagram shows the coexistence of antiferromagnetism and d x 2 - y 2 -wave superconductivity for the doping rate, δ, less than 10%. At half-filling, the renormalization of the J -term represents some aspects of quantum spin nature. For the finite doping case, there are two kinds of superconducting order parameters. The variational order parameter of the d-wave superconductivity increases as the doping rate decreases, which will correspond to the experimentally observed superconducting gap. In contrast, the actual expectation value of superconducting order parameter is proportional to δ in underdoped region and has a maximum near δ=0.11, which probably determines T c . We also speculate that the ground-state antiferromagnetic order, being destroyed at finite temperatures, gives the energy and temperature scale of the pseudogap. Applications to the inhomogeneous systems such as the vortex state and stripe state are discussed.
A new type of analytic estimation of the effect of strong correlation is developed for the two-dimensional t-J model. It is based on the Gutzwiller approximation which gives the renormalization of parameters, t and J, due to the Gutzwiller's projection operator excluding the double occupancies. The finite-range correlations are taken into account compared with the conventional Gutzwiller approximation where only the on-site expectation values are considered. It is shown that the essential point of the renormalization is its nonlinear dependence on the expectation values of Cooper pairs and antiferromagnetic moment. In particular the renormalization factor of J becomes anisotropic in the presence of antiferromagnetic moment, i.e., that for the z-component is enhanced compared with that for the xy-component. The physical origin of this enhancement is identified as the surrounding antiferromagnetic correlations of a bond. The self-consistency equations for the uniform variational wave functions are derived and solved numerically. Our result gives a reasonable estimate of antiferromagnetic order parameters near half filling, in contrast to the conventional slave-boson mean-field theory and the original Gutzwiller approximation. It is also found that, at half filling, the renormalization of J represents some of the quantum fluctuations of the Heisenberg spin system in a different manner from the spin-wave theory. For finite doping, our results have some similarity to SO(5) symmetric theory. Applications to the inhomogeneous systems such as the vortex state, around nonmagnetic impurities, and stripe state are discussed.
The ddd-wave superconductivity (dSC) and antiferromagnetism are analytically studied in a renormalized mean-field theory for a two-dimensional $t\text{\penalty1000-\hskip0pt}J$ model plus an on-site repulsive Hubbard interaction UUU. The purpose of introducing the UUU term is to partially impose the no-double-occupancy constraint by employing the Gutzwiller approximation. The phase diagrams as functions of doping $\ensuremath{\delta}$ and UUU are studied. Using the standard value of t∕J=3.0t∕J=3.0t∕J=3.0 and in the large-UUU limit, we show that the antiferromagnetic (AF) order emerges and coexists with the dSC in the underdoped region below the doping $\ensuremath{\delta}\ensuremath{\sim}0.1$. The dSC order parameter increases from zero as the doping increases and reaches a maximum near the optimal doping $\ensuremath{\delta}\ensuremath{\sim}0.15$. In the small-UUU limit, only the dSC order survives while the AF order disappears. As UUU increases up to a critical value, the AF order shows up and coexists with the dSC in the underdoped regime. At half-filling, the system is in the dSC state for small UUU and becomes an AF insulator for large UUU. Within the present mean-field approach, we show that the ground-state energy of the coexistent state is always lower than that of the pure dSC state.
The coexistence or exclusivity of dx2−y2d_{x^{2} - y^{2}}dx2−y2​-wave superconducting (d-SC) and antiferromagnetic (AF) orders and instability toward phase separation (PS) are reconsidered for the square-lattice t–J model with the diagonal transfer (t′) term near half filling. To reliably treat the strong correlation including the local constraint of no double occupancy, we use a variational Monte Carlo method, in which the band-renormalization effect (BRE) is also incorporated. The results are compared with those recently obtained for the corresponding Hubbard model [J. Phys. Soc. Jpn. 85, 074701 (2016)]. It is found that BRE has a very strong effect on the AF order and greatly modifies the ground-state phase diagram in the t′–δ space (δ: doping rate) proposed in previous studies, especially for large |t′/t|. In a wide range of t′/t (|t′/t| ≤ 0.5) and for any underdoped δ (≲ \lesssim ≲ 0.15), the AF order arises for J/t = 0.3, similarly to in the Hubbard model. In contrast with the Hubbard model, however, the d-SC order also arises down to small δ in a wide range of t′/t (≳ \gtrsim ≳ −0.2) and coexists with the AF order even for t′/t < 0 (type-II AF regime). Furthermore, there is no instability toward PS for any t′/t and δ for J/t = 0.3.
The coexisting phase of the d-wave superconducting and the antiferromagnetic order in the two-dimensional t-JJJ model is reexamined using a variational Monte Carlo method in order to estimate the Gutzwiller factors. A trial wave function is used which is consistent with the mean-field solution. The Gutzwiller factors are determined by comparing the numerically obtained expectation values with the mean-field values. We find the z component of the Gutzwiller factor of exchange interaction is enhanced compared with the xy\mathrm{xy}xy components. This effect does not appear in the conventional Gutzwiller approximation and is essential for the stabilization of the antiferromagnetic order in the presence of d-wave superconductivity. We discuss several applications of the present Gutzwiller factors to the problems with antiferromagnetism and d-wave superconductivity.
We discuss the coexistence of antiferromagnetism and ddd-wave superconductivity within the so-called statistically consistent Gutzwiller approximation (SGA) applied to the ttt--JJJ--UUU model. In this approach, the averages calculated in a self-consistent manner coincide with those determined variationally. Such consistency is not guaranteed within the standard renormalized mean-field theory. With the help of SGA, we show that for the typical value J/∣t∣=13J/|t|=\frac{1}{3}J/∣t∣=31​, coexistence of antiferromagnetism (AF) and superconductivity (SC) appears only for U/∣t∣>10.6U/|t|>10.6U/∣t∣>10.6 and in a very narrow range of doping $(\ensuremath{\delta}\ensuremath{\lesssim}0.006)$ in the vicinity of the Mott insulating state, in contrast to some previous reports. In the coexistent AF+SC phase, a staggered spin-triplet component of the superconducting gap appears also naturally; its value is very small.
Extended t-t'-t"-J-U models in which the second-nearest-neighbor hopping (t') and third-nearest-neighbor hopping (t") are included are studied using renormalized mean field theory. The models are meant to be low-energy effective models for the Hubbard models, and hence the Heisenberg exchange integral J and Hubbard repulsion U are related by J = 4t(2)/U. The trial wavefunctions for the ground states are partially Gutzwiller projected Hartree-Fock states. The Gutzwiller projection is implemented by means of a Gutzwiller approximation, and the site double occupancy d is taken as a variational parameter. It is found that a large |t'/t| narrows the band filling range that sustains antiferromagnetism (AFM) in the ground state, enhances the d-wave singlet superconductivity (dSC) in hole overdoped systems, but suppresses the dSC in electron overdoped systems. For a system that has large |t'/t| and |t"/t'|, the superconductivity (SC) at the onset of AFM in hole doped band filling is strongly suppressed. On the excitation occurring, when an electron doped system simultaneously contains SC and AFM, the system is found to have a nodeless gap at the Fermi level. Finally, the result of this study is related to experiments on the superconducting cuprates.