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arXiv:cond-mat/0606165 · Physical Review B

Exact study of charge-spin separation, pairing fluctuations, and pseudogaps in four-site Hubbard clusters

ARMEN N. KOCHARIAN, Gayanath Fernando, Kalum Palandage, J. W. Davenport

Published Jul 17, 2006• 53 citations
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Abstract

An exact study of charge-spin separation, pairing fluctuations, and pseudogaps is carried out by combining the analytical eigenvalues of the four-site Hubbard clusters with the grand canonical and canonical ensemble approaches in a multidimensional parameter space of temperature $(T)$, magnetic field $(h)$, on-site interaction $(U)$, and chemical potential $(\ensuremath{\mu})$. Our results, near the average number of electrons $⟨N⟩\ensuremath{\approx}3$, strongly suggest the existence of a critical parameter ${U}_{c}(T)$ for the localization of electrons and a particle-hole binding (positive) gap ${\ensuremath{\Delta}}^{e\text{\ensuremath{-}}h}(T)>0$ at $U>{U}_{c}(T)$, with a zero temperature critical value, ${U}_{c}(0)=4.584$. For $U<{U}_{c}(T)$, the particle-particle pair binding is found with a (positive) pairing gap ${\ensuremath{\Delta}}^{P}(T)>0$. The ground state degeneracy is lifted at $U>{U}_{c}(T)$ and the cluster becomes a Mott-Hubbard like insulator due to the presence of energy gaps at all (allowed) integer numbers $(1\ensuremath{\le}N\ensuremath{\le}8)$ of electrons. In contrast, for $U\ensuremath{\le}{U}_{c}(T)$, we find an electron pair binding instability at finite temperature near $⟨N⟩\ensuremath{\approx}3$, which manifests a possible pairing mechanism, a precursor to superconductivity in small clusters. Rigorous criteria for the existence of many-body Mott-Hubbard like particle-hole and particle-particle pairings, spin pairing, (spin) pseudogap, and (spin) antiferromagnetic critical crossover temperatures, at which the corresponding pseudogaps disappear, are also formulated. In particular, the resulting phase diagram consisting of charge and spin pseudogaps, antiferromagnetic correlations, hole pairing with competing hole-rich $(⟨N⟩=2)$, hole-poor $(⟨N⟩=4)$, and magnetic $(⟨N⟩=3)$ regions in the ensemble of clusters near 1/8 filling closely resembles the phase diagrams and inhomogeneous phase separation recently found in the family of doped high-${\mathrm{T}}_{\mathrm{c}}$ cuprates.

DOI
10.1103/physrevb.74.024511

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The charge spin-separation, pseudogap formation and phase diagrams are studied in two and four site Hubbard clusters using analytical diagonalization and grand canonical ensemble method in a multidimensional parameter space of temperature, magnetic field, on-site Coulomb interaction (U≥0U\ge 0U≥0), and chemical potential. The numerically evaluated, exact expressions for charge and spin susceptibilities provide clear evidence for the existence of true gaps in the ground state and pseudogaps in a limited range of temperature. In particular, Mott-Hubbard type charge crossover, spin pseudogap and magnetic correlations with antiferromagnetic (spin) pseudogap structure for two and four site clusters closely resemble the pseudogap phenomena and the normal-state phase diagram in high Tc_cc​ superconductors. ~ ~
Exact thermal studies of small (4-site and 8-site) Hubbard clusters with local electron repulsion yield intriguing insight into phase separation, charge-spin separation, pseudogaps, condensation, and, in particular, pairing fluctuations away from half-filling. These exact calculations, carried out in canonical and grand canonical ensembles, monitoring variations in temperature TTT and magnetic field hhh, show rich phase diagrams in a $T\ensuremath{-}\ensuremath{\mu}$ space consisting of pairing fluctuations and signatures of condensation. Corresponding electron pairing instabilities are seen when the on-site Coulomb interaction UUU is smaller than a critical value Uc(T){U}_{c}(T)Uc​(T) and they point to a possible electron pairing mechanism. The specific heat, magnetization, charge pairing, and spin pairing provide strong support for the existence of competing (paired and unpaired) phases near optimal doping in these clusters, and numerous similarities with experiments on high Tc{T}_{c}Tc​ superconductors are pointed out. In addition, these ideas may be linked to superconducting carbon nanotubes where a purely electronic mechanism could be responsible for superconductivity.
Electron pairing and formation of various types of magnetic correlations for ensembles of small clusters of different geometries are studied with emphasis on tetrahedrons and square pyramids under variation of interaction strength, electron doping and temperature. These exact calculations of charge and spin collective excitations and pseudogaps yield intriguing insights into level crossing degeneracies, phase separation and condensation. Obtained coherent and incoherent pairings provide a route for possible superconductivity different from the conventional BCS theory. Criteria for spin-charge separation, reconciliation and recombination driven by interaction strength, next-nearest coupling and temperature are found. Resulting phase diagrams resemble a number of inhomogeneous, coherent and incoherent nanoscale phases seen recently in high-Tc{T}_{c}Tc​ cuprates, manganites and colossal magnetoresistive (CMR) nanomaterials.
Electron coherent and incoherent pairings and other types of correlations are studied exactly for the ensemble of small clusters with different geometries under variation of interaction strength, electron doping and temperature. Charge and spin collective excitations yield intriguing insights into level crossing degeneracies, phase separation and condensation. Criteria for spin-charge separation and recombination driven by interaction strength and temperature are found. Phase diagrams resemble a number of inhomogeneous, nanoscale phases and pseudogap regions seen recently in high TC cuprates, manganites, multiferroics and CMR nanomaterials.
We study the t-J and the Hubbard models at zero temperature using exact-diagonalization techniques on \ensuremath{\surd}10 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}10 and 4\ifmmode\times\else\texttimes\fi{}4 sites clusters. Quantum Monte Carlo simulation results on larger lattices are also presented. All electronic fillings have been analyzed for the three models. We have measured equal-time correlation functions corresponding to various types of order (ranging from ``standard'' staggered spin order to more ``exotic'' possibilities like chiral order), as well as various dynamical properties of these models. Upper bounds for the critical hole doping (xc{\mathit{x}}_{\mathit{c}}xc​), where long-range antiferromagnetic order disappears, are presented. It was found that xc{\mathit{x}}_{\mathit{c}}xc​ is very small in agreement with experiments for the high-Tc{\mathit{T}}_{\mathit{c}}Tc​ superconductors. For example, in the t-J model, ${\mathit{x}}_{\mathit{c}}$0.08 at J/t=0.4. However, short-distance spin correlations are important up to much higher dopings producing a sharp well-defined spin-wave-like peak in S(q=(\ensuremath{\pi},\ensuremath{\pi}),\ensuremath{\omega}). Regarding the possibility of phase separation in the Hubbard model, we have studied the behavior of the density of particles, 〈n〉, as a function of the chemical potential, using the Lanczos method on a 4\ifmmode\times\else\texttimes\fi{}4 Hubbard cluster, finding no indications of phase separation for any value of U/t. Then, we conclude that the t-J model at small J/t should not phase separate.In order to compare theoretical predictions with photoemission experiments, we evaluated the electronic density of states N(\ensuremath{\omega}), of the Hubbard and t-J models at several doping fractions. We found that upon doping the antiferromagnetic gap is filled for U\ensuremath{\sim}8t or smaller. The chemical potential moves across the insulating gap as one goes from electron to hole doping of the half-filled cluster, in agreement with x-ray absorption experiments but at variance with photoemission experiments. We have also calculated the optical conductivity, ${\mathrm{\ensuremath{\sigma}}}_{1}$(\ensuremath{\omega}), of the Hubbard and t-J models at all dopings on 4\ifmmode\times\else\texttimes\fi{}4 clusters. Results are compared with experiments and the weight of the Drude peak is presented as a function of couplings and dopings. Spectral weight found at small frequencies is associated with the mid-infrared band observed experimentally in ${\mathrm{La}}_{2\mathrm{\ensuremath{-}}\mathit{x}}$Srx{\mathrm{Sr}}_{\mathit{x}}Srx​CuO4{\mathrm{CuO}}_{4}CuO4​, and with the states filling the insulating gap in photoemission experiments. An overall good agreement with experiments in the normal state was found. Regarding the possibility of superconductivity n these models, we have studied s-, d-, and p-wave pairing correlations. Naively, the d-wave channel seems enhanced near half filling while the extended s-wave channel seems enhanced from half filling up to 40% doping.However, we found that the enhancement comes from short-distance effects and, thus, no numerical indications of superconductivity were found in these models. We emphasize the importance of analyzing the pairing correlations as a function of distance to distinguish between short- and long-distance effects in the susceptibilities. We also observed that spiral order is enhanced at small J/t and low doping. Uniform chiral rder is suppressed by dynamical holes while staggered chiral order may be enhanced, although with a small plaquette order parameter. We conclude with the observation that the simple one-band Hubbard model with intermediate values of U\ensuremath{\sim}8t may account for many of the ``anomalous'' properties of the normal state of the high-Tc{\mathit{T}}_{\mathit{c}}Tc​ superconductors.
Abstract We present a T = 0 K renormalization group (RG) phase diagram for the hole-doped 2D Hubbard model on the square lattice. The RG method employed is nonperturbative in treating quantum fluctuations of the single-particle occupation number via the unitarily decoupling of one electronic state at every RG step. As a result, the RG phase diagram possesses the quantum fluctuation energy scale (ω) as one of its axes. Using effective Hamiltonians and wavefunctions for the low-energy many-body eigenstates for the doped Mott liquid obtained from the stable fixed point of the RG flows, we demonstrate the collapse of the pseudogap for charge excitations (Mottness) at a quantum critical point (QCP) possessing a nodal non-Fermi liquid with superconducting fluctuations, and spin-pseudogapping near the antinodes. The QCP is characterised using both thermodynamic and quantum information-theoretic measures. d-wave superconducting order is shown to arise from this quantum critical state of matter. The pseudogap phase possesses a variety of fluctuations that lead to several symmetry-broken phases at low-energies. Benchmarking of the ground state energy per particle and the double-occupancy fraction obtained from a finite-size scaling analysis against existing numerical results yields excellent agreement. We present detailed insight into the T = 0 origin of several experimentally observed findings in the cuprates, including Homes law and Planckian dissipation. We also establish that the heirarchy of temperature scales for the pseudogap (T PG), onset temperature for pairing (T ons), formation of the Mott liquid (T ML) and superconductivity (T C) obtained from our analysis is quantitatively consistent with that observed experimentally for some members of the cuprates. Our results offer insight on the ubiquitous origin of superconductivity in doped Mott insulating states, and pave the way towards a systematic search for higher superconducting transition temperatures in such systems.