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Journal of Experimental and Theoretical Physics Letters

d-Symmetry superconductivity as a consequence of valence-bond type correlations

Alexander A. Ovchinnikov, M. Ya. Ovchinnikova, Evgeny A. Plekhanov

Published Mar 1, 1998• 3 citations
Publisher

Abstract

It is shown that d x 2−y 2 symmetry of superconducting order due to valence bond (VB) type correlations is possible. The VB correlations are compatible with antiferromagnetic (AF) spin order. For the two-dimensional Hubbard model with arbitrary doping, the variational method of local unitary transformations is used to construct explicitly a uniform state with VB structure. The d-channel attraction of holes is a consequence of the modulation of hops by the populations of centers accompanying VB formation, and the parameters of the modulation are determined variationally. The increase in the density of states at the Fermi level accompanying AF splitting of the band, which is absent in the paramagnetic state, is important for the gap width. The gap width and its ratio to T c are of the order of 2Δ≃0.1t and 2Δ/kT c≃4–4.5 with U/t≃8. The agreement between the phase diagram found and experiment is discussed.

DOI
10.1134/1.567676

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It is shown that d x 2−y 2 symmetry of superconducting order due to valence bond (VB) type correlations is possible. The VB correlations are compatible with antiferromagnetic (AF) spin order. For the two-dimensional Hubbard model with arbitrary doping, the variational method of local unitary transformations is used to construct explicitly a uniform state with VB structure. The d-channel attraction of holes is a consequence of the modulation of hops by the populations of centers accompanying VB formation, and the parameters of the modulation are determined variationally. The increase in the density of states at the Fermi level accompanying AF splitting of the band, which is absent in the paramagnetic state, is important for the gap width. The gap width and its ratio to T c are of the order of 2Δ≃0.1t and 2Δ/kT c≃4–4.5 with U/t≃8. The agreement between the phase diagram found and experiment is discussed.
It is shown that d -symmetry superconductivity due to valence bond correlations is possible. Valence bond correlations are compatible with antiferromagnetic spin order. In order to explictly construct a homogeneous state with the valence bond structure in the two-dimensional Hubbard model for an arbitrary doping, we have used the variational method based on unitary local transformation. Attraction between holes in the d -channel is due to modulation of hopping by the site population in course of the valence bond formation, and corresponding parameters have been calculated variationally. An important factor for the gap width is the increase in the density of states on the Fermi level due to antiferromagnetic splitting of the band. The gap width and its ratio to the T c are 2Δ≃0.1 t and 2Δ/ kT c ≃4.5−4 for U/t ≃8. The correspondence between the theoretical phase diagram and experimental data is discussed. The dependence of T c on the doping δ =| n −1| and the Fermi surface shape are highly sensitive to the weak interaction t ′ leading to diagonal hoppings. In the case of t ′>0 and p -doping, the peak on the curve of T c ( δ ) occurs at the doping δ opt , when the energy of the flattest part of the lower Hubbard subband crosses the Fermi level at k ∼( π ,0). In underdoped samples with δ < δ opt , the anisotropic pseudogap in the normal state corresponds to the energy difference | E ( π ,0)− μ | between this part of the spectrum and the Fermi level.
Using the Hubbard model and the corresponding t-J model, we study the properties of correlated states with valence-bond structures. Mixed states with such structures and with antiferromagnetic spin ordering can be constructed by means of local unitary transformations of uncorrelated states. The latter turn out to have lower energy than mean-field antiferromagnetic solutions. Spin correlations for various degrees of doping δ = n −1 are in good agreement with the results of exact calculations for finite systems. In contrast to mean-field solutions, allowance for valence-bond correlations leads to a reasonable value of the critical δ , at which long-range antiferromagnetic order disappears. A calculation of the spectral functions that describe photoemission reveals typical behavior in two bands of effective hole (and electron) excitations, and energy transport in bands as the quasimomentum varies from (0,0) to ( π,π ), consistent with calculations in finite systems. We construct a homogeneous correlated state of fluctuating valence bonds (the band-model analog of states of fluctuating valence bonds), and demonstrate that its energy is lower than that of valence-bond alternant structures.
Valence bond (VB) states as the formation mechanism of Cooper pairs, eventually leading to high-temperature superconductivity, remain a controversial topic. Although various VB-like states find variational relevance in the description of specific spin models and quantum spin liquids, in the realm of many-body fermionic Hamiltonians, the evidence for such states as ground states wave functions remains elusive, challenging the valence-bond pairing mechanism. Here, we present evidence of a VB ground state with pairing tendencies, particularly at finite doping. We achieved this for the generic two-orbital Hubbard model in low dimension, where the VB states can be associated with the presence of the topological order manifested by edge states.
Variational tests are performed for current order parameters as probable sources of the pseudogap normal state of cuprates. The calculations are carried out based on the states with correlations of the valence bond type whose formation can induce in principle both the superconducting order of the d symmetry and current phases. It is shown for the t-t′ -U Hubbard models with a large value of U (∼8 t ) and the Hubbard splitting of the conduction band that (1) phases of alternating charge and longitudinal spin currents cannot be realized and (2) transverse spin currents are not compatible with the superconducting order and they could exist against the normal-state background only within a very narrow doping region near the optimal one. This region does not correspond to the region of existence of a pseudogap in cuprates, which refutes the above-mentioned hypothesis of the pseudogap origin. The requirements to the parameters of models for which the consideration of correlations of the valence bond type yields a reasonable phase curve. The existence of current phases in the t-t′-U-V Hubbard models with a strong interaction ( V >0.25t) of particles in neighboring sites is predicted when the d -superconductivity is completely suppressed.
To study the relationship between antiferromagnetism (AF) and superconductivity (SC) in cuprate superconductors, we have performed a variational Monte Carlo calculation on the two-dimensional Hubbard model with a diagonal transfer t' [1,2]. The following improvements are introduced into the variational function: (1) Coexistence of AF and d-wave singlet gaps that allows a continuous description of their interplay, (2) band renormalization effect owing to the electron correlation up to the fourth-neighbor hoppings, and (3) refined doublon-holon correlation factors. It is found that the AF and SC orders become coexistent or competitive according to the values of model parameters, U/t, t'/t, and δ (doping rate), and the effective band is strongly renormalized for large U/t and low doping rates, so as to recover the nesting condition favorable to AF.
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.