ARPES spectral functions and Fermi surface for La<Subscript>1.86</Subscript>Sr<Subscript>0.14</Subscript>CuO<Subscript>4</Subscript> compared with LDA + DMFT + Σ<Subscript>k</Subscript> calculations

The slightly underdoped high-temperature system La_1.86Sr_0.14CuO₄ (LSCO) is studied by means of high-energy high-resolution angular resolved photoemission spectroscopy (ARPES) and the combined LDA + DMFT + Σ _k computational scheme. The corresponding one-band Hubbard model is solved via dynamical mean field theory (DMFT), and the model parameters needed are obtained from first principles in the local density approximation (LDA). An “external” k-dependent self-energy Σ _k describes the interaction of correlated electrons with antiferromagnetic (AFM) pseudogap fluctuations. Experimental and theoretical data clearly show a “destruction” of the LSCO Fermi surface in the vicinity of the (π, 0) point and formation of “Fermi arcs” in the nodal directions. ARPES energy distribution curves as well as momentum distribution curves demonstrate a deviation of the quasiparticle band from the Fermi level around the (π, 0) point. The same behavior of spectral functions follows from theoretical calculations suggesting the AFM origin of the pseudogap state.     

Destruction of the Fermi surface due to pseudogap fluctuations in strongly correlated systems

We generalize the dynamical-mean field theory (DMFT) by including into the DMFT equations dependence on the correlation length of the pseudogap fluctuations via the additional (momentum dependent) self-energy Σ_k. This self-energy describes nonlocal dynamical correlations induced by short-ranged collective SDW-like antiferromagnetic spin (or CDW-like charge) fluctuations. At high enough temperatures, these fluctuations can be viewed as a quenched Gaussian random field with finite correlation length. This generalized DMFT + Σ_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 nearest and next nearest neighbor hopping. The effective single impurity problem is solved by using a numerical renormalization group (NRG). Both types of strongly correlated metals, namely, (i) doped Mott insulator and (ii) the case of the bandwidth W ? U (U-value of local Coulomb interaction) are considered. By calculating profiles of the spectral densities for different parameters of the model, we demonstrate the qualitative picture of Fermi surface destruction and formation of Fermi arcs due to pseudogap fluctuations in qualitative agreement with the ARPES experiments. Blurring of the Fermi surface is enhanced with the growth of the Coulomb interaction.     

Two-dimensional t-J model at moderate doping

Using the method which retains the rotation symmetry of spin components in the paramagnetic state and has no preset magnetic ordering, spectral and magnetic properties of the two-dimensional t-J model in the normal state are investigated for the ranges of hole concentrations 0 ⩽ x ⩽ 0.16 and temperatures 0.01t ⩽ T ⩽ 0.2t. The used hopping t and exchange J parameters of the model correspond to hole-doped cuprates. The obtained solutions are homogeneous which indicates that stripes and other types of phase separation are not connected with the strong electron correlations described by the model. A series of nearly equidistant maxima in the hole spectral function calculated for low T and x is connected with hole vibrations in the region of the perturbed short-range antiferromagnetic order. The hole spectrum has a pseudogap in the vicinity of (0,π) and (π, 0). For x ≈ 0.05 the shape of the hole Fermi surface is transformed from four small ellipses around (±π/2,±π/2) to two large rhombuses centered at (0, 0) and (π,π). The calculated temperature and concentration dependencies of the spin correlation length and the magnetic susceptibility are close to those observed in cuprate perovskites. These results offer explanations for the observed scaling of the static uniform susceptibility and for the changes in the spin-lattice relaxation and spin-echo decay rates in terms of the temperature and doping variations in the spin excitation spectrum of the model. Received 14 November 2002 Published online 1st April 2003 RID="a" ID="a"e-mail: alexei@fi.tartu.ee     

Quasiparticle anisotropy and pseudogap formation from the weak-coupling renormalization group point of view

Using the one-loop functional renormalization group technique, we evaluate the self-energy in the weak-coupling regime of the 2D t-t(') Hubbard model. At van Hove (vH) band fillings and at low temperatures, the quasiparticle weight along the Fermi surface (FS) continuously vanishes on approaching the (pi,0) point where the quasiparticle concept is invalid. Away from vH band fillings the quasiparticle peak is formed inside an anisotropic pseudogap and the self-energy has the conventional Fermi-liquid characteristics near the Fermi level. The spectral weight of the quasiparticle features is reduced on parts of the FS between the near vicinity of hot spots and the FS points closest to (pi,0) and (0,pi).     

Electron spectrum in high-temperature cuprate superconductors

A microscopic theory for the electron spectrum of the CuO₂ plane within an effective p-d Hubbard model is proposed. The Dyson equation for the single-electron Green’s function in terms of the Hubbard operators is derived and solved self-consistently for the self-energy evaluated in the noncrossing approximation. Electron scattering on spin fluctuations induced by the kinematic interaction is described by a dynamical spin susceptibility with a continuous spectrum. The doping and temperature dependence of electron dispersions, spectral functions, the Fermi surface, and the coupling constant λ are studied in the hole-doped case. At low doping, an arc-type Fermi surface and a pseudogap in the spectral function close to the Brillouin zone boundary are observed. The text was submitted by the authors in English.     

Electron-doping versus hole-doping in the 2D t-t' Hubbard model

We compare the one-loop renormalization group flow to strong coupling of the electronic interactions in the two-dimensional t-t'-Hubbard model with t' = - 0.3t for band fillings smaller and larger than half-filling. Using a numerical N-patch scheme ( N = 32, ..., 96) we show that in the electron-doped case with decreasing electron density there is a rapid transition from a d _{x2 - y2}-wave superconducting regime with small characteristic energy scale to an approximate nesting regime with strong antiferromagnetic tendencies and higher energy scales. This contrasts with the hole-doped side discussed recently which exhibits a broad parameter region where the renormalization group flow suggests a truncation of the Fermi surface at the saddle points. We compare the quasiparticle scattering rates obtained from the renormalization group calculation which further emphasize the differences between the two cases. Received 19 December 2000 and Received in final form 28 February 2001     

Effects of a k⃗-dependent Hybridisation on the Fermi surface of an extended d–p Hubbard model

ABSTRACT

The topology of the Fermi surface of an extended d–p Hubbard model is investigated using Green's function technique in a n-pole approximation. The effects of the d–p hybridisation on the Fermi surface are the main focus in the present work. Nevertheless, the effects of doping, Coulomb interaction and hopping to second-nearest-neighbours on the Fermi surface, are also studied. Particularly, it is shown that the crossover from hole-like to electron-like Fermi surface (Lifshitz transition) is deeply affected by the d–p hybridisation. Moreover, the pseudogap present in the low doping regime is also affected by the hybridisation. The results show that both the doping and the hybridisation act in the sense of suppresses the pseudogap. Therefore, the systematic investigation of the Fermi surface topology, shows that not only the doping but also the hybridisation can be considered as a control parameter for both the pseudogap and the Lifshitz transition. Assuming that the hybridisation is sensitive to external pressure, the present results agree qualitatively with recent experimental data for the cuprate Nd-LSCO.     

Pseudogap and symmetry of superconducting order parameter in cuprates

The phase diagram, nature of the normal state pseudogap, type of the Fermi surface, and behavior of the superconducting gap in various cuprates are discussed in terms of a correlated state with valence bonds. The variational correlated state, which is a band analogue of the Anderson (RVB) states, is constructed using local unitary transformations. Formation of valence bonds causes attraction between holes in the d-channel and corresponding superconductivity compatible with antiferromagnetic spin order. Our calculations indicate that there is a fairly wide range of doping with antiferromagnetic order in isolated CuO₂ planes. The shape of the Fermi surface and phase transition curve are sensitive to the value and sign of the hopping interaction t′ between diagonal neighboring sites. In underdoped samples, the dielectrization of various sections of the Fermi boundary, depending on the sign of t′, gives rise to a pseudogap detected in photoemission spectra for various quasimomentum directions. In particular, in bismuth-and yttrium-based ceramics (t′>0), the transition from the normal state of overdoped samples to the pseudogap state of underdoped samples corresponds to the onset of dielectrization on the Brillouin zone boundary near k=(0,π) and transition from “large” to “small” Fermi surfaces. The hypothesis about s-wave superconductivity of La-and Nd-based ceramics has been revised: a situation is predicted when, notwithstanding the d-wave symmetry of the superconducting order parameter, the excitation energy on the Fermi surface does not vanish at all points of the phase space owing to the dielectrization of the Fermi boundary at k _x=± k _y. The model with orthorhombic distortions and two peaks on the curve of T _c versus doping is discussed in connection with experimental data for the yttrium-based ceramic. Zh. éksp. Teor. Fiz. 115, 649–674 (February 1999)     

Pseudogap behavior in Bi<Subscript>2</Subscript>Ca<Subscript>2</Subscript>SrCu<Subscript>2</Subscript>O<Subscript>8</Subscript>: Results of the generalized dynamical mean-field approach

Pseudogap phenomena are observed for the normal underdoped phase of different high-T _c cuprates. Among others, the Bi₂Sr₂CaCu₂O_{8 − 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 + Σ_k 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 Σ_k in the spirit of our recently proposed DMFT + Σ_k approach taking into account pseudogap fluctuations. In the present model, Σ_k 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 + Σ_k 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 + Σ_k successfully describes strong (pseudogap) scattering close to Brillouin zone boundaries. Our calculated LDA + DMFT + Σ_k 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. The article was submitted by the authors in English.     

Hot spots and pseudogaps for hole- and electron-doped high-temperature superconductors

Using cluster perturbation theory, it is shown that the spectral weight and pseudogap observed at the Fermi energy in recent angle resolved photoemission spectroscopy of both electron- and hole-doped high-temperature superconductors find their natural explanation within the t-t(')-t(")-U Hubbard model in two dimensions. The value of the interaction U needed to explain the experiments for electron-doped systems at optimal doping is in the weak to intermediate coupling regime where the t-J model is inappropriate. At strong coupling, short-range correlations suffice to create a pseudogap, but at weak-coupling long correlation lengths associated with the antiferromagnetic wave vector are necessary.     

Interacting Fermi Liquid in Two Dimensions at Finite Temperature. Part II: Renormalization

This is a companion paper to [DR1]. Using the method of continuous renormalization group around the Fermi surface and the results of [DR1], we achieve the proof that a two-dimensional jellium system of interacting Fermions at low temperature T is a Fermi liquid above the BCS temperature. Following [S], this means proving analyticity in the coupling constant λ for , where K is some numerical constant, and some uniform bounds on the derivatives of the self-energy. Received: 27 July 1999 / Accepted: 31 May 2000     

Doping-dependent electronic structure of cuprates studied using angle-scanned photoemission

Full k -maps of the electronic structure near the Fermi level of differently doped cuprates measured with angle-scanned photoelectron spectroscopy are presented. The valence band maximum of the antiferromagnetic insulator Sr₂CuO₂Cl₂, which is taken as a representative of an undoped cuprate, and the Fermi surfaces of overdoped, optimally doped and underdoped Bi₂Sr₂CaCu₂O_8+δ high-temperature superconductors are mapped in the normal state. The results confirm the existence of large Luttinger Fermi surfaces at high doping with a Fermi surface volume proportional to (1+x), where x is the hole concentration. At very low doping, however, we find that this assumption based on Luttinger's theorem is not fulfilled. This implies a change in the topology of the Fermi surface. Furthermore the intensity of the shadow bands observed on the Fermi surface of Bi₂Sr₂CaCu₂O_8+δ as a function of the doping is discussed. Received 12 October 1999 and Received in final form 12 April 2000     

Flow to strong coupling in the two-dimensional Hubbard model

We extend the analysis of the renormalization group flow in the two-dimensional Hubbard model close to half-filling using the recently developed temperature flow formalism. We investigate the interplay of d-density wave and Fermi surface deformation tendencies with those towards d-wave pairing and antiferromagnetism. For a ratio of next nearest to nearest neighbor hoppings, t'/t = - 0.25, and band fillings where the Fermi surface is inside the Umklapp surface, only the d-pairing susceptibility diverges at low temperatures. When the Fermi surface intersects the Umklapp surface close to the saddle points, d-wave pairing, d-density wave, antiferromagnetic and, to a weaker extent, d-wave Fermi surface deformation susceptibilities grow together when the interactions flow to strong coupling. We interpret these findings as indications for a non-trivial strongly coupled phase with short-ranged superconducting and antiferromagnetic correlations, in close analogy with the spin liquid ground state in the well-understood two-leg Hubbard ladder. Received 23 January 2002     

Pseudogap behavior in Pr0.5Sr0.5MnO3: A photoemission study

The valence band electronic structure of Pr_0.5Sr_0.5MnO₃ has been investigated across its paramagnetic metallic (PMM)–ferromagnetic metallic (FMM)–antiferromagnetic insulator (AFMI) transition. Using surface sensitive high resolution photoemission we have conclusively demonstrated the presence of a pseudogap of magnitude 80 meV in the near Fermi level electronic spectrum in the PMM and FMM phases and finite intensity at the Fermi level in the charge ordering (CO)-AFMI phase. The pseudogap behavior is explained in terms of the strong electron–phonon interaction and the formation of Jahn Teller (JT) polarons, indicating the charge localizations. The finite intensity at the Fermi level in the insulating phase showed a lack of charge ordering in the surface of the Pr_0.5Sr_0.5MnO₃ samples.     

Fermi-surface truncation from thermal nematic fluctuations

We analyze how thermal fluctuations near a finite temperature nematic phase transition affect the spectral function A(k,ω) for single-electron excitations in a two-dimensional metal. Perturbation theory yields a splitting of the quasiparticle peak with a d-wave form factor, reminiscent of a pseudogap. We present a resummation of contributions to all orders in the Gaussian fluctuation regime. Instead of a splitting, the resulting spectral function exhibits a pronounced broadening of the quasiparticle peak, which varies strongly around the Fermi surface and vanishes upon approaching the Brillouin-zone diagonal. The Fermi surface obtained from a Brillouin-zone plot of A(k,0) seems truncated to Fermi arcs.     

Pseudogap and the Fermi surface in the t-J model

We calculate spectral functions within the t-J model as relevant to cuprates in the regime from low to optimum doping. On the basis of equations of motion for projected operators an effective spin-fermion coupling is derived. The self-energy due to short-wavelength transverse spin fluctuations is shown to lead to a modified self-consistent Born approximation, which can explain strong asymmetry between hole and electron quasiparticles. The coupling to long-wavelength longitudinal spin fluctuations governs the low-frequency behavior and results in a pseudogap behavior, which at low doping effectively truncates the Fermi surface.     

Pseudogap state of two-dimensional Kondo lattice

The pseudogap behavior of spectral function A(k, ω) of charge carriers is considered in the weak doping regime for a 2D Kondo lattice with a strong spin-hole antiferromagnetic interaction. The scattering of carriers is described in terms of a local polaron according to the irreducible Green functions. The behavior of the carrier spectrum in the nodal and antinodal domains is considered. The resultant value of the pseudogap is in conformity with experimental data on photoemission with angular resolution.     

Charge order driven by Fermi-arc instability and its connection with pseudogap in cuprate superconductors

The recently discovered charge order is a generic feature of cuprate superconductors, however, its microscopic origin remains debated. Within the framework of the fermion-spin theory, the nature of charge order in the pseudogap phase and its evolution with doping are studied by taking into account the electron self-energy (then the pseudogap) effect. It is shown that the antinodal region of the electron Fermi surface is suppressed by the electron self-energy, and then the low-energy electron excitations occupy the disconnected Fermi arcs located around the nodal region. In particular, the charge order state is driven by the Fermi-arc instability, with a characteristic wave vector corresponding to the hot spots of the Fermi arcs rather than the antinodal nesting vector. Moreover, although the Fermi arc increases its length as a function of doping, the charge order wave vector reduces almost linearity with the increase of doping. The theory also indicates that the Fermi arc, charge order and pseudogap in cuprate superconductors are intimately related to each other, and all of them emanates from the electron self-energy due to the interaction between electrons by the exchange of spin excitations.     

Ferromagnetism in the periodic Anderson model. A comparison of spectral density approximation (SDA), modified alloy analogy (MAA) and modified perturbation theory (MPT)

We compare different approximation schemes for investigating ferromagnetism in the periodic Anderson model. The use of several approximations allows for a detailed analysis of the implications of the respective methods, and also of the mechanisms driving the ferromagnetic transition. For the Kondo limit, our results confirm a previously proposed mechanism leading to ferromagnetic order, namely an RKKY exchange mediated via the formation of Kondo screening clouds in the conduction band. The contrary case is found in the intermediate-valence regime. Here, the bandshift correction ensuring a correct high-energy expansion of the self-energy is essential. Inclusion of damping effects reduces stability of the ferromagnetic phase. Received 5 June 2000 and Received in final form 3 August 2000