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arXiv:cond-mat/0208595

Spectral Functions and Pseudogap in Models of Strongly Correlated Electrons

Peter Prelovšek, A. Ramšak

Published Aug 30, 2002• 0 citations
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Abstract

The theoretical investigation of spectral functions and pseudogap in systems with strongly correlated electrons is discussed, with the emphasis on the single-band t-J model as relevant for superconducting cuprates. The evidence for the pseudogap features from numerical studies of the model is presented. One of the promising methods to study spectral functions is the method of equations of motion. The latter can deal systematically with the local constraints and projected fermion operators inherent for strongly correlated electrons. In the evaluation of the self energy the decoupling of spin and single-particle fluctuations is performed. In an undoped antiferromagnet the method reproduces the selfconsistent Born approximation (SCBA). For finite doping the approximation evolves into a paramagnon contribution which retains large incoherent contribution in the hole part. On the other hand, the contribution of longer-range spin fluctuations is essential for the emergence of the pseudogap. The latter shows up at low doping in the effective truncation of the large Fermi surface, reduced electron density of states and at the same time reduced quasiparticle density of states at the Fermi level.

DOI
10.48550/arxiv.cond-mat/0208595

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Physical review. B, Condensed matter•Jun 1, 1997•11 citations
The theoretical investigation of spectral functions and pseudogap in systems with strongly correlated electrons is discussed, with the emphasis on the single-band t-J model as relevant for superconducting cuprates. The evidence for the pseudogap features from numerical studies of the model is presented. One of the promising methods to study spectral functions is the method of equations of motion. The latter can deal systematically with the local constraints and projected fermion operators inherent for strongly correlated electrons. In the evaluation of the self energy the decoupling of spin and single-particle fluctuations is performed. In an undoped antiferromagnet the method reproduces the selfconsistent Born approximation (SCBA). For finite doping the approximation evolves into a paramagnon contribution which retains large incoherent contribution in the hole part. On the other hand, the contribution of longer-range spin fluctuations is essential for the emergence of the pseudogap. The latter shows up at low doping in the effective truncation of the large Fermi surface, reduced electron density of states and at the same time reduced quasiparticle density of states at the Fermi level.
Spectral functions within the generalized $t\ensuremath{-}J$ model as relevant to cuprates are analyzed using the method of equations of motion for projected fermion operators. In the evaluation of the self-energy a decoupling of spin and single-particle fluctuations is performed. It is shown that in an undoped antiferromagnet the method reproduces the self-consistent Born approximation. For finite doping with short-range antiferromagnetic order the approximation evolves into a paramagnon contribution which retains a large incoherent contribution in the hole part of the spectral function as well as the hole-pocket-like Fermi surface at low doping. On the other hand, the contribution of longer-range spin fluctuations, with the coupling mostly determined predominantly by J and next-neighbor hopping ${t}^{\ensuremath{'}},$ is essential for the emergence of the pseudogap. The latter shows, at low doping in the effective truncation of the large Fermi surface, a reduced electron density of states and at the same time a quasiparticle density of states at the Fermi level.
The two-dimensional Hubbard model is studied within the composite operator method (COM) with the electronic self-energy computed in the self-consistent Born approximation (SCBA). The main idea of the COM is to describe interacting electrons in terms of the composite elementary excitations appearing in the system owing to strong correlations; the residual interactions among these excitations are treated within the SCBA. By analysing the spectral function A(k,ω) on varying the filling, we find, at high doping, the ordinary Fermi-liquid behaviour of a weakly interacting metal and, at low doping, the opening of a pseudogap, as reported for cuprates superconductors.
Anomalous properties of the normal state of a strongly correlated electron system described by an attractive extended Hubbard model are investigated. The equations of motion of the Green’s functions are calculated with the two-pole approximation which gives rise to quasiparticle renormalized bands. The two-pole approximation leads to a set of correlation functions. In particular, the antiferromagnetic correlation function plays an important role as a source of anomalies in the normal state of the model. The uniform static magnetic susceptibility as a function of occupation n T and temperature is calculated. At low temperatures, the susceptibility presents a peak for n T ≃ 0.80. The results suggest that it is the onset of short-range antiferromagnetic correlations, which could be a mechanism for the pseudogap. The Fermi surface, defined by the spectral function , is presented for different dopings. It has been observed that above n T ≃ 0.80 the ordinary Fermi surface evolves to a hole pocket with pseudogaps near the antinodal points (0,π) and (π,0).
The two-dimensional Hubbard model is studied within the composite operator method (COM) with the self-energy computed in the self-consistent Born approximation (SCBA). The COM describes interacting electrons in terms of the new elementary excitations that appear in the system owing to strong correlations; residual interactions among these excitations are treated within the SCBA. On decreasing the doping (from the overdoped to underdoped region), anomalous features develop in the spectral function $A(\mathbf{k},\ensuremath{\omega})$, the Fermi surface, the momentum distribution function n(k)n(\mathbf{k})n(k), the dispersion, and the density of states $N(\ensuremath{\omega})$ in the intermediate-coupling regime (U=8)(U=8)(U=8) at low temperatures (T=0.01−−0.02)(T=0.01--0.02)(T=0.01−−0.02). At high doping (n=0.7)(n=0.7)(n=0.7), the system resembles an ordinary weakly interacting metal. At low doping (n=0.92)(n=0.92)(n=0.92), a pseudogap opens, hot and cold spots appear, and non-Fermi-liquid features develop. This behavior, together with the presence of kinks in the calculated electronic dispersion, is in agreement with angle-resolved photoemission spectroscopy data for high-Tc{T}_{c}Tc​ cuprates superconductors.
We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale $\ensuremath{\xi}$ via a momentum dependent external self-energy ${\ensuremath{\Sigma}}_{\mathbf{k}}$. This external self-energy describes nonlocal dynamical correlations induced by the short-ranged collective spin density wave--like antiferromagnetic spin (or the charge density wave--like charge) fluctuations. At high enough temperatures these fluctuations can be viewed as a quenched Gaussian random field with a finite correlation length. This generalized $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ approach is used for the numerical solution of the weakly doped one-band Hubbard model with repulsive Coulomb interaction on a square lattice with the nearest and the next nearest neighbor hopping. The effective single impurity problem in this generalized $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ is solved by the numerical renormalization group. Both types of the strongly correlated metals, namely: (i) The doped Mott insulator and (ii) the case of the bandwidth $W\ensuremath{\lesssim}U$ (UUU---value of the local Coulomb interaction) are considered. The densities of states, the spectral functions, and the angle resolved photoemission spectra calculated within the $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ show a pseudogap formation near the Fermi level of the quasiparticle band.
Literature addressing the existence of ``hole pockets'' in experiments for the high-Tc{\mathrm{T}}_{\mathrm{c}}Tc​ cuprates and in theoretical analysis of electronic models of correlated electrons is reviewed. It is argued that the issue is not conclusively resolved, both in theory and experiments. The apparently large Fermi surface observed in numerical studies of the doped Hubbard and t-J models suggests the presence of 1-x carriers (with x the concentration of holes). However, this is in contradiction with results obtained in similar calculations for the Drude weight which scales with x at low doping. To address such a paradox, dressed operators are here used. Their spectral decomposition A(k,\ensuremath{\omega}) is analyzed specially using the t-J model on ladders, but considering also chains and two-dimensional (2D) clusters. The results are contrasted against those obtained with the standard bare operators. It is concluded that substantial changes in the spectral weight can occur by replacing the bare hole creation operator by its dressed version. Apparently large Fermi surfaces can turn into small ones by working with quasiparticle (qp) operators that represent accurately the state of one hole. Thus, large Fermi surfaces in angle-resolved photoemission (ARPES), obtained by the sudden removal of an electron, may not be in contradiction with a visualization of the normal state of lightly doped antiferromagnets as composed of a gas of spin polarons with energies approximately obtained from the rigid band doping of the half-filled dispersion. The coexistence of a large Fermi surface in ARPES with, e.g., a holelike Hall coefficient seems possible in systems with strong correlations. In this paper the expression ``hole pocket'' is used as representing a large accumulation of spectral weight centered at k=(\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2,\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2) generated by antiferromagnetic correlations in 2D clusters, or in analogous positions for ladders and chains. The subtle issue of whether such hole pockets represent a true small Fermi surface or just large incoherent weight cannot be addressed with finite resolution techniques such as angle-resolved photoemission and numerical studies of electronic models. They only provide information about the location of the dominant weight in A(k,\ensuremath{\omega}). The ideas discussed here are very general and they can be applied to a variety of problems where quasiparticles are strongly dressed by low energy excitations of the medium in which they are immersed.