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arXiv:cond-mat/0309453

Short-range spin- and pair-correlations: a variational wave-function

D. van der Marel

Published Sep 19, 2003• 0 citations
arXivHTMLPDF

Abstract

A many-body wavefuction is postulated, which is sufficiently general to describe superconducting pair-correlations, and/or spin-correlations, which can occur either as long-range order or as finite-range correlations. The proposed wave-function appears to summarize some of the more relevant aspects of the rich phase-diagram of the high-Tc cuprates. Some of the states represented by this wavefunction are reviewed: For superconductivity in the background of robust anti-ferromagnetism, the Cooper-pairs are shown to be a superposition of spinquantum numbers S=0 and S=1. If the anti-ferromagnetism is weak, a continuous super-symmetric rotation is identified connecting s-wave superconductivity to anti-ferromagnetism.

DOI
10.48550/arxiv.cond-mat/0309453

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•Sep 11, 2009•0 citations
A many-body wavefuction is postulated, which is sufficiently general to describe superconducting pair-correlations, and/or spin-correlations, which can occur either as long-range order or as finite-range correlations. The proposed wave-function appears to summarize some of the more relevant aspects of the rich phase-diagram of the high-Tc cuprates. Some of the states represented by this wavefunction are reviewed: For superconductivity in the background of robust anti-ferromagnetism, the Cooper-pairs are shown to be a superposition of spinquantum numbers S=0 and S=1. If the anti-ferromagnetism is weak, a continuous super-symmetric rotation is identified connecting s-wave superconductivity to anti-ferromagnetism.
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.
It is very important to clarify the mechanism of high-temperature superconductivity in strongly correlated electron systems. The mechanism of superconductivity in high temperature cuprate superconductors has been studied extensively since their discovery. We investigate the properties of correlated electron systems and mechanism of superconductivity by using the optimization quantum variational Monte Carlo method. The many-body wave function is constructed by multiplying by correlation operators of exponential type. We show that d-wave superconducting phase exists in the strongly correlated region where the on-site repulsive interaction is as large as the bandwidth or more than the bandwidth. The d-wave pairing correlation function is shown as a function of lattice sites, showing that the long-range order indeed exists.
This letter presents a new class of variational wavefunctions for Fermi systems in any dimension. These wavefunctions introduce correlations between Cooper pairs in different momentum states and the relevant correlations can be computed analytically. At half filling we have a ground state with critical superconducting correlations, that causes negligible increase of the kinetic energy. We find large enhancements in a Cooper-pair correlation function caused purely by the interplay between the uncertainty principle, repulsion and the proximity of half filling. This is surprising since there is no accompanying signature in usual charge and spin response functions, and typifies a novel kind of many-body cooperative behaviour.
Abstract Chapter 13 addresses Bose condensation in superfluids (and superconductors), which involves the field operator ψ having a c-number component (<ψ(x,t)>≠0), challenging number conservation. The nonlinear Gross-Pitaevskii equation is derived for this condensate wave function <ψ>=ψ−ψ˜, facilitating identification of the coherence length and the core region of vortex motion. The noncondensate Green’s function G˜1(1,1′)=−i<(ψ˜(1)ψ˜+(1′))+> and the nonvanishing anomalous correlation function F˜∗(2,1′)=−i<(ψ˜+(2)ψ˜+(1′))+> describe the dynamics and elementary excitations of the non-condensate states and are discussed in conjunction with Landau’s criterion for viscosity. Associated concepts of off-diagonal long-range order and the interpretation of <ψ> as a superfluid order parameter are also introduced. Anderson’s Bose-condensed state, as a phase-coherent wave packet superposition of number states, resolves issues of number conservation. Superconductivity involves bound Cooper pairs of electrons capable of Bose condensation and superfluid behavior. Correspondingly, the two-particle Green’s function has a term involving a product of anomalous bound-Cooper-pair condensate wave functions of the type F(1,2)=−i<(ψ(1)ψ(2))+>≠0, such that G2(1,2;1′,2′)=F(1,2)F+(1′,2′)+G˜2(1,2;1′,2′). Here, G˜2 describes the dynamics/excitations of the non-superfluid-condensate states, while nonvanishing F,F+ represent a phase-coherent wave packet superposition of Cooper-pair number states and off-diagonal long range order. Employing this form of G2 in the G1-equation couples the condensed state with the non-condensate excitations. Taken jointly with the dynamical equation for F(1,2), this leads to the Gorkov equations, encompassing the Bardeen–Cooper–Schrieffer (BCS) energy gap, critical temperature, and Bogoliubov-de Gennes eigenfunction Bogoliubons. Superconductor thermodynamics and critical magnetic field are discussed. For a weak magnetic field, the Gorkov-equations lead to Ginzburg–Landau theory and a nonlinear Schrödinger-like equation for the pair wave function and the associated supercurrent, along with identification of the Cooper pair density. Furthermore, Chapter 13 addresses the apparent lack of gauge invariance of London theory with an elegant variational analysis involving re-gauging the potentials, yielding a manifestly gauge invariant generalization of the London equation. Consistency with the equation of continuity implies the existence of Anderson’s acoustic normal mode, which is supplanted by the plasmon for Coulomb interaction. Type II superconductors and the penetration (and interaction) of quantized magnetic flux lines are also discussed. Finally, Chapter 13 addresses Josephson tunneling between superconductors.
Abstract We investigate the ground state of the two-dimensional three-band d-p model for for high-temperature superconductors on the basis of a variational Monte Carlo method. We employ an optimization variational Monte Carlo method that we have developed recently. The many-body wave function is improved beyond the Gutzwiller ansatz by adopting the wave function in the form ψ = exp(−S)ψG where ψG represents the Gutzwiller function and S is a kinetic operator. The strong magnetic correlation and also superconductivity (SC) are induced by the on-site Coulomb repulsive interaction. It is important to clarify the phase diagram that includes superconductive phase and antiferromagnetic phase. We show the phase diagram to show the antiferromagnetic region in the parameter space. High-temperature superconductivity may occur in the strongly correlated region near the antiferromagnetic boundary.
In this thesis, symmetry and related transformation laws under a suitable unitary transformation are used in the study of the superconducting and magnetic properties of strongly correlated electronic systems. Such a study profits from a recently found global SO(3)×SO(3)×U(1) = [SO(4)×U(1)]/Z2 symmetry in the Hubbard model on a bipartite lattice. The introduction of the square-lattice quantum liquid relies on a general description of the Hubbard model consistent with its exact global SO(3) × SO(3) × U(1) symmetry. Such a quantum liquid is expected to play the same role for many-electron problems with short-range interactions on a square lattice, as a Fermi liquid for three-dimensional isotropic metals. It refers to the Hubbard model on the square lattice in the subspace spanned by the ground state, and the excited states generated by application onto it of one- and two-electron operators. For such a square-lattice quantum liquid only the charge c fermions and spin-neutral two-spinon s1 fermions play an active role. Part of the studies of this thesis use an effective superconductivity theory according to which, for zero spin density m = 0 and the range 0 < x < x∗ of finite hole concentrations of a short-range spin ordered phase, the ground state of the square-lattice quantum liquid of c and s1 fermions with residual interactions is superconducting. (For U/4t > ui ≈ 3/4 the critical hole concentration x∗ increases continuously upon increasing the U/4t value from x∗ = 1/√2 ≈ 0.225 at U/4t = ui to x∗ = 1/ ≈ 0.318 for U/4t → ∞.) Superconductivity emerges naturally from the effects of the residual interactions of the c and s1 fermions and as a side product of the short-range spin correlations. The phase of the c fermion pairs reads = 0 + 1 where the fluctuations of the phases 0 and 1 become large for x → 0 and x → x∗, respectively. For 0 < x < x∗ and x = 0, the symmetry of the action for the phase is a global superconducting U(1) symmetry and a local compact gauge symmetry, respectively. The former U(1) symmetry is identified with the U(1) symmetry of the Hubbard-model global SO(3) × SO(3) × U(1) = [SO(4) × U(1)]/Z2 symmetry. The amplitudes g = g0 g1, g0 = |heiθ0i|, and g1 = |heiθ1i|, their zero-temperature values ˘g ≈ (x/x∗)(1−x/x∗), ˘g0 ≈ (x/x∗), and ˘g1 ≈ (1−x/x∗) and the fluctuations of the phase , play an important role in the physics of the square-lattice quantum liquid. Together with the energy scale 2 0, which gives the maximum magnitude of the s1 fermion spinon pairing energy, they fully control the order parameters of both the short-range spin and long-range superconducting correlations. Indeed, for temperatures T < Tc, the short-range spin ordered phase has both a macroscopic quantum phase-coherent pair superconducting order so that |heiθi| > 0, and a short-range spin order, whereas for Tc < T < T∗ only the latter order prevails yet there remain c fermion pairing correlations such that |heiθ1i| > 0 but heiθ0i = 0. Here the critical temperature Tc and the crossover pseudogap temperature T∗ are fully controlled by the absolute value of the order parameters of the two above orders, respectively. However, the square-lattice quantum liquid alone does not describe quantitatively the unusual properties of the hole-doped cuprates. To fulfill such a goal we profit from a suitable theory according to which the interplay of electronic correlations described by the square-lattice quantum liquid of charge c fermions and spin-neutral two-spinon s1 fermions with intrinsic disorder, is behind the unusual properties of the holedoped hight-temperature cuprate superconductors. By profiting from such an interplay, an excellent quantitative agreement with experiments for the physical quantities of several families of hole-doped cuprates is reached. That includes universal properties such as a dome-like critical-temperature hole-concentration dependence and normal-state linear-T resistivity near optimal doping, extending over a wide temperature window. The results confirm a coexisting two-gap scenario associated with an incoherent two-spinon pairing and a coherent twoc- fermion pairing, respectively. While most of our studies focus on the superconducting and magnetic properties of the square-lattice quantum liquid associated with the Hubbard model on the square lattice, the magnetic properties of a related model – the periodic Anderson model – are also addressed, on the cubic lattice.