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arXiv:cond-mat/0203479 · Journal of Experimental and Theoretical Physics

Optical conductivity in a 2D model of the pseudogap state

M. V. Sadovskii, N. A. Strigina

Published Sep 1, 2002• 10 citations
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Abstract

A 2D model of the pseudogap state is considered on the basis of the scenario of strong electron scattering by short-range-order fluctuations of the “dielectric” (antiferromagnetic or charge density wave) type. A system of recurrence relations is constructed for a one-particle Green’s function and the vertex part, describing the interaction of electrons with an external field. This system takes into account all Feynman diagrams for electron scattering at short-range-order fluctuations. The results of detailed calculations of optical conductivity are given for various geometries (topologies) of the Fermi surface, demonstrating both the effects of pseudogap formation in the electron spectrum and the localization effects. The obtained results are in qualitative agreement with experimental data for underdoped HTSC cuprates.

DOI
10.1134/1.1513827

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A 2D model of the pseudogap state is considered on the basis of the scenario of strong electron scattering by short-range-order fluctuations of the “dielectric” (antiferromagnetic or charge density wave) type. A system of recurrence relations is constructed for a one-particle Green’s function and the vertex part, describing the interaction of electrons with an external field. This system takes into account all Feynman diagrams for electron scattering at short-range-order fluctuations. The results of detailed calculations of optical conductivity are given for various geometries (topologies) of the Fermi surface, demonstrating both the effects of pseudogap formation in the electron spectrum and the localization effects. The obtained results are in qualitative agreement with experimental data for underdoped HTSC cuprates.
We analyze several almost exactly solvable models of the electronic spectrum of two-dimensional systems with well-developed short-range-order dielectric (e.g., antiferromagnetic) or superconducting fluctuations that give rise to an anisotropic pseudogap state in certain segments of the Fermi surface. We develop a recurrence procedure for calculating the one-electron Green’s function that is equivalent to summing all Feynman diagrams. The procedure is based on an approximate ansatz for higher order terms in the perturbation series. We do detailed calculations of the spectral densities and the one-electron density of states. Finally, we analyze the limits of the adopted approximations and some important points concerning the substantiation of these approximations.
The influence of disorder and pseudogap fluctuations on the Mott insulator-metal transition in strongly correlated systems has been studied in the framework of the generalized dynamic mean field theory (DMFT + Σ approach). Using the results of investigations of the density of states (DOS) and optical conductivity, a phase diagram (disorder-Hubbard interaction-temperature) is constructed for the paramagnetic Anderson-Hubbard model, which allows both the effects of strong electron correlations and the influence of strong disorder to be considered. Strong correlations are described using the DMFT, while a strong disorder is described using a generalized self-consistent theory of localization. The DOS and optical conductivity of the paramagnetic Hubbard model have been studied in a pseudogap state caused by antiferromagnetic spin (or charge) short-range order fluctuations with a finite correlation length, which have been modeled by a static Gaussian random field. The effect of a pseudogap on the Mott insulator-metal transition has been studied. It is established that, in both cases, the static Gaussian random field (related to the disorder or pseudogap fluctuations) leads to suppression of the Mott transition, broadening of the coexistence region of the insulator and metal phases, and an increase in the critical temperature at which the coexistence region disappears.
The optical conductivity of the weakly doped two-dimensional repulsive Hubbard model on the square lattice with the nearest and next-nearest hoppings is calculated within the generalized dynamical mean-field $(\mathrm{DMFT}+{\ensuremath{\sum}}_{\mathbf{p}})$ approach, which includes correlation length scale $\ensuremath{\xi}$ into the standard DMFT equations via the momentum dependent self-energy ${\ensuremath{\sum}}_{\mathbf{p}}$, with a full account of appropriate vertex corrections. This approach takes into consideration the nonlocal dynamical correlations induced, e.g., by short-ranged collective spin-density-wavelike antiferromagnetic spin fluctuations, which (at high enough temperatures) can be viewed as a quenched Gaussian random field with finite correlation length $\ensuremath{\xi}$. The DMFT effective single-impurity problem is solved by numerical renormalization group. We consider both the case of correlated metal with the bandwidth $W\ensuremath{\lesssim}U$ and that of doped Mott insulator with U⪢WU⪢WU⪢W (UUU---the value of local Hubbard interaction). The optical conductivity calculated within $\mathrm{DMFT}+{\ensuremath{\sum}}_{\mathbf{p}}$ demonstrates typical pseudogap behavior within the quasiparticle band, in qualitative agreement with experiments in copper oxide superconductors. For large values of UUU, pseudogap anomalies are effectively suppressed.
The conductivity of the two-dimensional Hubbard model is particularly relevant for high-temperature superconductors. Vertex corrections are expected to be important because of strongly momentum-dependent self-energies. To attack this problem, one must also take into account the Mermin--Wagner theorem, the Pauli principle, and crucial sum rules in order to reach nonperturbative regimes. Here, we use the two-particle self-consistent approach that satisfies these constraints. This approach is reliable from weak to intermediate coupling. A functional derivative approach ensures that vertex corrections are included in a way that satisfies the fff-sum rule. The two types of vertex corrections that we find are the antiferromagnetic analogs of the Maki--Thompson and Aslamasov--Larkin contributions of superconducting fluctuations to the conductivity but, contrary to the latter, they include nonperturbative effects. The resulting analytical expressions must be evaluated numerically. The calculations are impossible unless a number of advanced numerical algorithms are used. These algorithms make extensive use of fast Fourier transforms, cubic splines, and asymptotic forms. A maximum entropy approach is specially developed for analytical continuation of our results. These algorithms are explained in detail in the appendices. The numerical results are for nearest-neighbor hoppings. In the pseudogap regime induced by two-dimensional antiferromagnetic fluctuations, the effect of vertex corrections is dramatic. Without vertex corrections the resistivity increases as we enter the pseudogap regime. Adding vertex corrections leads to a drop in resistivity, as observed in some high-temperature superconductors. At high temperatures, the resistivity saturates at the Ioffe--Regel limit. At the quantum critical point and beyond, the resistivity displays both linear and quadratic temperature dependence and there is a correlation between the linear term and the superconducting transition temperature. A hump is observed in the mid-infrared range of the optical conductivity in the presence of antiferromagnetic fluctuations.
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 study the electronic structure within a system of phase-decoupled one-dimensional superconductors coexisting with stripe spin and charge-density-wave order. This system has a nodal Fermi surface (Fermi arc) in the form of a hole pocket and an antinodal pseudogap. The spectral function in the antinodes is approximately particle-hole symmetric contrary to the gapped regions just outside the pocket. We find that states at the Fermi energy are extended whereas states near the pseudogap energy have localization lengths as short as the interstripe spacing. We consider pairing which has either local ddd-wave or sss-wave symmetry and find similar results in both cases, consistent with the pseudogap being an effect of local pair correlations. We suggest that this state is a stripe-ordered caricature of the pseudogap phase in underdoped cuprates with coexisting spin-, charge-, and pair-density-wave correlations. Lastly, we also model a superconducting state which (1) evolves smoothly from the pseudogap state, (2) has a signature subgap peak in the density of states, and (3) has the coherent pair density concentrated to the nodal region.