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arXiv:2012.06630 · Physical review. B./Physical review. B

Universal collective modes from strong electronic correlations: Modified 1/Nf theory with application to high- Tc cuprates

Maciej Fidrysiak, Józef Spałek

Published Apr 9, 2021• 6 citations
arXivHTMLPDF

Abstract

A nonzero-temperature technique for strongly correlated electron lattice systems, combining elements of both variational wave function (VWF) approach and expansion in the inverse number of fermionic flavors ($1/{\mathcal{N}}_{f}$), is developed. The departure point, VWF method, goes beyond the renormalized mean-field theory and provides semiquantitative description of principal equilibrium properties of high-${T}_{c}$ superconducting cuprates. The developed here scheme of $\text{VWF}+1/{\mathcal{N}}_{f}$, in the leading order provides dynamical spin and charge responses around the VWF solution, generalizing the weak-coupling spin-fluctuation theory to the regime of strong correlations. Thermodynamic corrections to the correlated saddle-point state arise systematically at consecutive orders. Explicitly, $\text{VWF}+1/{\mathcal{N}}_{f}$ is applied to evaluate dynamical response functions for the hole-doped Hubbard model and compared with available determinant quantum Monte Carlo data, yielding a good overall agreement in the regime of coherent collective-mode dynamics. The emergence of well-defined spin and charge excitations from the incoherent continua is explicitly demonstrated and a nonmonotonic dependence of the charge-excitation energy on the interaction magnitude is found. The charge mode energy saturates slowly when approaching the strong-coupling limit, which calls for a reevaluation of the $t\text{\ensuremath{-}}J$-model approach to the charge dynamics in favor of more general $t\text{\ensuremath{-}}J\text{\ensuremath{-}}U$ and $t\text{\ensuremath{-}}J\text{\ensuremath{-}}U\text{\ensuremath{-}}V$ models. The results are also related to recent inelastic resonant x-ray and neutron-scattering experiments for the high-${T}_{c}$ cuprates.

DOI
10.1103/physrevb.103.165111

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A nonzero-temperature technique for strongly correlated electron lattice systems, combining elements of both variational wave function (VWF) approach and expansion in the inverse number of fermionic flavors (1/Nf1/{\mathcal{N}}_{f}1/Nf​), is developed. The departure point, VWF method, goes beyond the renormalized mean-field theory and provides semiquantitative description of principal equilibrium properties of high-Tc{T}_{c}Tc​ superconducting cuprates. The developed here scheme of VWF+1/Nf\text{VWF}+1/{\mathcal{N}}_{f}VWF+1/Nf​, in the leading order provides dynamical spin and charge responses around the VWF solution, generalizing the weak-coupling spin-fluctuation theory to the regime of strong correlations. Thermodynamic corrections to the correlated saddle-point state arise systematically at consecutive orders. Explicitly, VWF+1/Nf\text{VWF}+1/{\mathcal{N}}_{f}VWF+1/Nf​ is applied to evaluate dynamical response functions for the hole-doped Hubbard model and compared with available determinant quantum Monte Carlo data, yielding a good overall agreement in the regime of coherent collective-mode dynamics. The emergence of well-defined spin and charge excitations from the incoherent continua is explicitly demonstrated and a nonmonotonic dependence of the charge-excitation energy on the interaction magnitude is found. The charge mode energy saturates slowly when approaching the strong-coupling limit, which calls for a reevaluation of the t\ensuremath-Jt\text{\ensuremath{-}}Jt\ensuremath-J-model approach to the charge dynamics in favor of more general t\ensuremath-J\ensuremath-Ut\text{\ensuremath{-}}J\text{\ensuremath{-}}Ut\ensuremath-J\ensuremath-U and t\ensuremath-J\ensuremath-U\ensuremath-Vt\text{\ensuremath{-}}J\text{\ensuremath{-}}U\text{\ensuremath{-}}Vt\ensuremath-J\ensuremath-U\ensuremath-V models. The results are also related to recent inelastic resonant x-ray and neutron-scattering experiments for the high-Tc{T}_{c}Tc​ cuprates.
Universal collective modes from strong correlations: Modified 1/Nf1/\mathcal{N}_f1/Nf​ theory with application to high-TcT_cTc​ cuprates
A nonzero-temperature technique for strongly correlated electron lattice systems, combining elements of both variational wave function (VWF) approach and expansion in the inverse number of fermionic flavors (1/Nf1/\mathcal{N}_f1/Nf​), is developed. To the leading order, the combined VWF+1/Nf1/\mathcal{N}_f1/Nf​ scheme provides dynamical spin and charge response around the strongly-correlated VWF solution, whereas thermodynamic corrections to the saddle-point state arise systematically at consecutive orders. VWF+1/Nf1/\mathcal{N}_f1/Nf​ is used to evaluate dynamical response functions for the hole-doped Hubbard model and compared with available determinant quantum Monte-Carlo data, yielding a good overall agreement in the regime of coherent collective-mode dynamics. Emergence of well-defined spin and charge excitations from the incoherent continua is explicitly demonstrated, and a non-monotonic dependence of the charge-excitation energy on the interaction magnitude is found. The charge-mode energy saturates slowly when approaching the strong-coupling limit, which calls for a reevaluation of the ttt-JJJ-model approach to charge dynamics. The results are also related to recent inelastic resonant XXX-ray scattering experiments for the high-TcT_cTc​ cuprates.
The t-J-U model of high-Tc copper-oxide superconductors incorporates both the on-site Coulomb repulsion and kinetic exchange interaction and yields a semi-quantitative description of the static properties of those materials. We extend this analysis to dynamic quantities and address collective spin- and charge excitations in the correlated metallic state of the t-J-U model. We employ VWF+1/Nf approach that combines the variational wave function (VWF) approach with the expansion in the inverse number of fermionic flavors (1/Nf). It is shown that the resonant (paramagnon) contribution to the dynamic magnetic susceptibility remains robust as one interpolates between the Hubbard- and t-J-model limits, whereas the incoherent continuum undergoes substantial renormalization. Energy of the collective charge mode diminishes as the strong-coupling limit is approached. We also introduce the concept of effective kinetic exchange interaction that allows for a unified interpretation of magnetic dynamics in the Hubbard, t-J, and t-J-U models. The results are discussed in the context of recent resonant inelastic x-ray scattering experiments for the high-Tc cuprates.
We provide a unified interpretation of both paramagnon and plasmon modes in high-Tc{T}_{c}Tc​ copper-oxides, and verify it quantitatively against available resonant inelastic xxx-ray scattering (RIXS) data across the hole-doped phase diagram. The three-dimensional extended Hubbard model, with included long-range Coulomb interactions and doping-independent microscopic parameters for both classes of quantum fluctuations, is used. Collective modes are studied using VWF+1/Nf\mathrm{VWF}+1/{\mathcal{N}}_{f}VWF+1/Nf​ approach which extends variational wave function (VWF) scheme by means of an expansion in inverse number of fermionic flavors (1/Nf)(1/{\mathcal{N}}_{f})(1/Nf​). We show that intense paramagnons persist along the antinodal line from the underdoped to the overdoped regime and undergo rapid overdamping in the nodal direction. Plasmons exhibit a three-dimensional character, with minimal energy corresponding to antiphase oscillations on neighboring CuO2{\mathrm{CuO}}_{2}CuO2​ planes. The theoretical spin- and charge excitation energies reproduce semiquantitatively RIXS data for ${(\mathrm{Bi},\mathrm{Pb})}_{2}{(\mathrm{Sr},\mathrm{La})}_{2}{\mathrm{CuO}}_{6+\ensuremath{\delta}}$. The present VWF+1/Nf\mathrm{VWF}+1/{\mathcal{N}}_{f}VWF+1/Nf​ analysis of dynamics and former VWF results for static quantities combine into a consistent description of the principal properties of hole-doped high-Tc{T}_{c}Tc​ cuprates as strongly correlated systems.
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.
We carry out a systematic study of collective spin and charge excitations for the canonical single-band Hubbard, t–J–U, and t–J models of high-temperature copper-oxide superconductors, both on electron- and hole-doped side of the phase diagram. A~recently developed variational wave function approach, combined with the expansion in the inverse number of fermionic flavors, is employed. All three models exhibit a substantial electron–hole asymmetry of magnetic excitations, with a robust paramagnon emerging for hole-doping, in agreement with available resonant inelastic X-ray scattering data for the cuprates. The t–J model yields additional high-energy peak in the magnetic spectrum that is not unambiguously identified in spectroscopy. For all considered Hamiltonians, the dynamical charge susceptibility contains a coherent mode for both hole- and electron doping, with overall bandwidth renormalization controlled by the on-site Coulomb repulsion. Away from the strong-coupling limit, the antiferromagnetic ordering tendency is more pronounced on the electron-doped side of the phase diagram.
The generic phase diagram of lightly hole doped high-Tc{T}_{c}Tc​ cuprates hosts an antiferromagnetic insulating phase with well-defined spin-wave excitations. Contrary to the weak-coupling prediction, these modes persist up to the overdoped metallic regime as intense and dispersive paramagnons. Here we report on our study of the low-energy magnetic and charge excitations within the extended Hubbard model at strong coupling, using a modified 1/N1/N1/N expansion method with a variational state serving as the saddle point solution. Despite clear separation of magnetic and Hubbard-UUU energy scales, we find that incipient Mottness affects qualitatively dispersions and widths of magnetic modes throughout the entire phase diagram. The obtained magnetic and charge dynamical structure factors agree semiquantitatively with recent resonant x-ray and neutron scattering data for ${\mathrm{La}}_{2\ensuremath{-}\mathit{x}}{\mathrm{Sr}}_{\mathit{x}}{\mathrm{CuO}}_{4}$ and ${(\mathrm{Bi},\mathrm{Pb})}_{2}{(\mathrm{Sr},\mathrm{La})}_{2}{\mathrm{CuO}}_{6+\ensuremath{\delta}}$ at all available doping levels. The weak-coupling random-phase approximation fails already for underdoped samples, pointing to the nontrivial intertwining of distinct energy scales in cuprate superconductors. The existence of a discrete charge mode which splits off the electron-hole continuum is also predicted.