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arXiv:cond-mat/0701588

Dynamical Mean Field Theory of the Gutzwiller-projected BCS Hamiltonian: Phase Fluctuations and the Pseudogap

Kwon Park

Published Jan 24, 2007• 0 citations
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Abstract

One of the most prominent problems in high temperature superconductivity is the nature of the pseudogap phase in underdoped regimes; particularly important is the role of phase fluctuations. The Gutzwiller-projected BCS Hamiltonian is a useful model for high temperature superconductivity due to an exact mapping to the Heisenberg model at half filling and generally a very close connection to the t-J model at moderate doping. We develop the dynamical mean field theory for the d-wave BCS Hamiltonian with on-site repulsive interaction, $U$, physically imposing the partial Gutzwiller projection. For results, two pseudogap energy scales are identified: one associated with the bare pairing gap for the singlet formation and the other with the local phase coherence. The real superconducting gap determined from sharp coherence peaks in the density of states shows strong renormalization from the bare value due to $U$.

DOI
10.48550/arxiv.cond-mat/0701588

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One of the most prominent problems in high temperature superconductivity is the nature of the pseudogap phase in underdoped regimes; particularly important is the role of phase fluctuations. The Gutzwiller-projected BCS Hamiltonian is a useful model for high temperature superconductivity due to an exact mapping to the Heisenberg model at half filling and generally a very close connection to the t-J model at moderate doping. We develop the dynamical mean field theory for the d-wave BCS Hamiltonian with on-site repulsive interaction, UUU, physically imposing the partial Gutzwiller projection. For results, two pseudogap energy scales are identified: one associated with the bare pairing gap for the singlet formation and the other with the local phase coherence. The real superconducting gap determined from sharp coherence peaks in the density of states shows strong renormalization from the bare value due to UUU.
The Gutzwiller-projected BCS Hamiltonian is a useful model for high-temperature superconductivity due to its equivalence to the Heisenberg model at half filling and a close connection to the t – J model at moderate doping. In this work, a dynamical mean field theory (DMFT) is developed for the BCS Hamiltonian with d-wave pairing subject to on-site repulsive interaction, U , which we call the BCS+ U model. The large- U limit corresponds to the Gutzwiller-projected BCS Hamiltonian. It is shown that the equivalence between the Heisenberg and the Gutzwiller-projected BCS model is a manifestation of a broader duality in the BCS+ U model: for any finite U , the local dynamics of the BCS+ U model is dual at half filling with respect to the exchange between the hopping parameter, t , and the pairing amplitude, Δ. It is explicitly demonstrated in our DMFT analysis that the real superconducting gap, determined from the sharp coherence peaks in the local density of states, shows strong renormalization from its bare value as a function of U .
A close connection between antiferromagnetism and superconductivity is at the core of high-temperature superconductivity. Here, we put forward the projected BCS theory for the unification of antiferromagnetism and strongly correlated superconductivity. Specifically, it is shown that, with the ddd-wave pairing symmetry, the projected BCS theory can provide excellent trial states at general doping for the exact ground states of the $t\text{\ensuremath{-}}J$ model in the square lattice, generating a unified theory of high-temperature superconductivity as a continuous function of hole concentration. A key to the success of the projected BCS theory is an accurate treatment of the strong correlation between Cooper pairs, which not only causes the breakdown of superconductivity itself at half filling but also defines the precise nature of strongly correlated superconductivity at moderate doping. Also, via the proper incorporation of particle number fluctuations, the projected BCS theory allows direct computation of the superconducting order parameter, shedding important light on the pseudogap phenomenon.
The principal purpose of this topical review is to single out some of the universal features of high-temperature (high-Tc) and related strongly-correlated systems, which can be compared with experiment in a quantitative manner. The description starts with the concept of exchange-interaction-mediated (real-space) pairing, combined with strong correlations among narrow band electrons, for which the reference state is that of the Mott–Hubbard insulator. The physical discussion of concrete properties relies on variational approach, starting from generalized renormalized mean-field theory (RMFT) in the form of statistically-consistent Gutzwiller approximation (SGA), and its subsequent generalization, i.e., a systematic Diagrammatic Expansion of the Variational (Gutzwiller-type) Wave Function (DE-GWF). The solution leads to the two energy scales, one involving unconventional quasiparticles close to the Fermi energy, and the other reflecting the fully correlated state, involving electrons deeper below the Fermi surface. Those two regimes are separated by a kink in the dispersion relation, which is observed in photoemission. As a result, one obtains both the doping dependent properties in the correlated state, and effective renormalized quasiparticles. The reviewed ground-state characteristics for high-Tc systems encompass high-Tc superconductivity, nematicity, charge- (and pair-) density-wave effects, as well as non-BCS kinetic energy gain in the paired state. The calculated dynamic properties are: the universal Fermi velocity, the Fermi wave-vector, the effective mass enhancement, the pseudogap; and the d-wave gap magnitude. We discuss that, within the variational approach, the minimal realistic model is represented by the so-called t-J-U Hamiltonian. Inadequacy of the t-J and Hubbard models, particularly of their RMFT versions, is discussed explicitly. For heavy fermion systems, modeled by the Anderson lattice model and with the DE-GWF approach, we discuss the phase diagram, encompassing superconducting, Kondo insulating, ferro- and anti-ferromagnetic states. The superconducting state is then a two-d-wave gap system. If the orbital degeneracy of f-electrons is included, the coexistent ferromagnetic- (spin–triplet) superconducting phases appear and match those observed for UGe2 in a semiquantitative manner. Finally, in the second part, we generalize our approach to the collective spin and charge fluctuations in high-Tc systems, starting from variational approach, defining the saddle-point state, and combining it with 1/N expansion. The present scheme differs essentially from that starting from the saddle-point Hartree–Fock approximation, and incorporating the fluctuations in the random phase approximation (RPA). The spectrum of collective spin and charge excitations is determined for the Hubbard and t-J-U models, and subsequently compared quantitatively with recent experiments. The Appendices provide formal details to make this review self-contained.
I study the effect of Coulomb interaction on superconducting order in a ddd-wave lattice superconductor at T=0T=0T=0 by considering the superconducting saddle point in the two-dimensional $t\text{\ensuremath{-}}J\text{\ensuremath{-}}U$ model with a repulsion UUU. The theory of low-energy superconducting phase fluctuations around this saddle point is derived in terms of the effective hard-core bosons (representing the density of spin-up electrons and the phase of the order parameter), interacting with the fluctuating density of spin-down electrons. Whereas the saddle-point value of the superconducting gap is found to continuously increase towards half filling, the phase stiffness at T=0T=0T=0 has a maximum, and then decreases with further underdoping. Right at half filling the phase stiffness vanishes for large UUU. This argues that the pseudogap phenomenon of the type observed in cuprates is in principle possible without a development of any competing order, purely as a result of growing correlations in the superconducting state. Implications for the finite temperature superconducting transition and the effects of static disorder are discussed qualitatively.
Pseudogap phenomena are observed for the normal underdoped phase of different high-T c cuprates. Among others, the Bi2Sr2CaCu2O8 − δ (Bi2212) compound is one of the most studied experimentally. To describe the pseudogap regime in Bi2212, we use a novel generalized ab initio LDA + DMFT + Σk hybrid scheme. This scheme is based on the strategy of one of the most powerful computational tools for real correlated materials: the local density approximation (LDA) + dynamical mean-field theory (DMFT). Conventional LDA + DMFT equations are here supplied with an additional (momentum-dependent) self-energy Σk in the spirit of our recently proposed DMFT + Σk approach taking into account pseudogap fluctuations. In the present model, Σk describes nonlocal correlations induced by short-range collective Heisenberg-like antiferromagnetic spin fluctuations. The effective single-impurity problem of the DMFT is solved by the numerical renormalization group (NRG) method. Material-specific model parameters for the effective x 2 − y 2 orbital of Cu-3d shell of the Bi2212 compound, e.g., the values of intra-and interlayer hopping integrals between different Cu sites, the local Coulomb interaction U, and the pseudogap potential Δ were obtained within the LDA and LDA + DMFT schemes. Here, we report on the theoretical LDA + DMFT + Σk quasiparticle band dispersion and damping, Fermi surface renormalization, momentum anisotropy of (quasi)static scattering, densities of states, spectral densities, and angular-resolved photoemission (ARPES) spectra, taking into account pseudogap and bilayer splitting effects for normal (slightly) underdoped Bi2212 (δ = 0.15). We show that LDA + DMFT + Σk successfully describes strong (pseudogap) scattering close to Brillouin zone boundaries. Our calculated LDA + DMFT + Σk Fermi surfaces and ARPES spectra in the presence of pseudogap fluctuations are almost insensitive to the bilayer splitting strength. However, our LDA-calculated value of bilayer splitting is rather small to describe the experimentally observed peak-dip-hump structure. The results obtained are in good semiquantitative agreement with various recent ARPES experiments.
We present a numerically exact solution for the BCS Hamiltonian at any temperature, including the degrees of freedom associated with classical phase, as well as amplitude fluctuations via a Monte Carlo integration. This allows for an investigation over the whole range of couplings: from weak attraction, as in the well-known BCS limit, to the mainly unexplored strong-coupling regime of pronounced phase fluctuations. In the latter, two characteristic temperatures T(*) and T(c), associated with short- and long-range ordering, respectively, can be identified in a mean-field-motivated Hamiltonian. T(*) at the same time corresponds to the opening of a gap in the excitation spectrum. In addition to introducing a novel procedure to study strongly coupled d-wave superconductors, our results indicate that classical phase fluctuations are not sufficient to explain the pseudogap features of high-temperature superconductors.