Magnetic and electric phase transitions in the Hubbard model

Within the Hubbard model, two boson Green’s functions that describe the propagation of collective excitations of the electronic system—magnons (states with a single electron spin flip) and doublons (states with two electrons at one site of the crystal lattice)—are calculated for a Coulomb interaction of arbitrary strength and for an arbitrary electron concentration by applying a decoupling procedure to the double-time X-operator Green’s functions. It is found that the magnon and doublon Green’s functions are similar in structure and there is a close analogy between them. Instability of the paramagnetic phase with respect to spin ordering is investigated using the magnon Green’s function, and instability of the metallic phase to charge ordering is analyzed with the help of the doublon Green’s function. Criteria for the paramagnet-ferromagnet and metal-insulator phase transitions are found.     

The intrinsical character of the electronic correlation in an electron gas

By introducing the phase transformation of electron operators, we map the equation of motion of an one-particle Green's function into that of a non-interacting one-particle Green's function where the electrons are moving in a time-depending scalar potential and pure gauge fields for a D-dimensional electron gas, and we demonstrate that the electronic correlation strength strongly depends upon the excitation energy spectrum and collective excitation modes of electrons. It naturally explains that the electronic correlation strength is strong in the one dimension, while it is weak in the three dimensions.     

Remarks on Perturbation of Infinite Networks of Identical Resistors

The resistance between arbitrary sites of infinite square network of identical resistors is studied when the network is perturbed by removing two bonds from the perfect lattice. A connection is made between the resistance and the lattice Green’s function of the perturbed network. By solving Dyson’s equation the Green’s function and the resistance of the perturbed lattice are expressed in terms of those of the perfect lattice. Some numerical results are presented for an infinite square lattice.     

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.     

Spectral functions in the two-dimensional Hubbard model within a spin-charge rotating frame approach

We have performed electronic spectral function calculations for the Hubbard model on the square lattice using recently developed quantum SU(2) × U(1) rotor approach that enables a self-consistent treatment of the antiferromagnetic state. The collective variables for charge and spin are isolated in the form of the space-time fluctuating U(1) phase field and rotating spin quantization axis governed by the SU(2) symmetry, respectively. As a result interacting electrons appear as composite objects consisting of bare fermions with attached U(1) and SU(2) gauge fields. This allows us to write the fermion Green’s function in the space-time domain as a product of the SU(2) gauge fields, U(1) phase propagator and the pseudo-fermion correlation function. Consequently, the calculation of the spectral line shapes now reduces to performing the convolution of spin, charge and pseudo-fermion Green’s functions. The collective spin and charge fluctuations are governed by the effective actions that are derived from the Hubbard model for any value of the Coulomb interaction. The emergence of a sharp peak in the electron spectral function in the antiferromagnetic state indicates the decay of the electron into separate spin and charge carrying particle excitations.     

New many body perturbation method and the Hubbard model

By adapting the functional derivative method developed by Kadanoff and Baym to the Hubbard model, a new perturbation method is formulated. The unperturbed state is defined by the two equations which yield Hubbard's results, while the remainder is given by functional derivatives of the Green's functions which are shown to generate a complete perturbation series. Advantages of this method are discussed.     

Functional approach to the parametric derivatives of renormalized green's functions with multiple insertions

Functional derivation of formulae for parametric derivatives of renormalized Green's functions with multiple insertions of composite operators is presented. An application to the derivative with respect to the ultraviolet cutoff in the Pauli–Villars regularized ?⁴₄ theory is given.     

Kinematic mechanism of the modulation of the spectral intensity in the spatially uniform system of Hubbard fermions

Using the exact representation of the Green’s function constructed in terms of the Hubbard operators, it has been shown that the kinematic interaction that induces the spin-fluctuation processes in the spatially uniform system of Hubbard fermions leads to significant variations in the spectral intensity A(k, ω) in the Brillouin zone. As a result, the modulation of A(k, ω) appears in the Fermi contour. The sign of the hopping integral within the first coordination sphere is determined by the contour section, where A(k, ω) decreases according to the angle-resolved photoemission spectroscopy data.     

Effect of impurities scattering potential on NMR relaxation rate in impure d-wave superconductors

The purpose of our research is to study the nuclear spin lattice relaxation rate of impure d-wave superconductors. We use the Green’s function method to derive the approximation equation of density of states including the impurity scattering potential. We can get the analytic equation of the nuclear spin lattice relaxation rate that contained the impurity scattering potential in case of weak scattering potential and strong scattering potential in the simple form as the power series of Δ(T) and T. The numerical calculations show that there is coherence peak in the weak impurity scattering potential but there is no peak in the strong impurity scattering potential.     

The classical limit of temperature Green's function expansions

Rules are obtained for calculating the classical limit of Green's function diagrammatic expansions. The classical cluster expansion is derived by calculating the classical limit of the exact Green's function. Other operators of interest in linear response theory may be calculated in the classical limit. The retarded real-time spin density correlation function, proportional to the magnetic susceptibility, is shown to be exactly proportional to the density in this limit. The relation of this work to other approaches is discussed.     

Mott-Hubbard transition and antiferromagnetism on the honeycomb lattice

The Hubbard model is investigated for a halffilled honeycomb lattice, using a variational method. Two trial wave functions are introduced, the Gutzwiller wave function, well suited for describing the “metallic” phase at small U and a complementary wave function for the insulating regime at large values of U. The comparison of the two variational ground states at the mean-field level yields a Mott transition at U _c /t ≈ 5:3. In addition, a variational Monte Carlo calculation is performed in order to locate the instability of the “metallic” wave function with respect to antiferromagnetism. The critical value U _m/t ≈ 3:7 obtained in this way is considered to be a lower bound for the true critical point for antiferromagnetism, whereas there are good arguments that the mean-field value U _c/t ≈ 5:3 represents an upper bound for the Mott transition. Therefore the “metal”- insulator transition for the honeycomb lattice may indeed be simultaneously driven by the antiferromagnetic instability and the Mott phenomenon.     

Field-theoretic approach to the properties of the solid state

The techniques of quantum field theory are used to investigate the thermodynamic ion displacement correlation function—or Green's function of the phonon field—in a crystal and especially in a metal. The structure of thermodynamic Green's functions is outlined and the method for solving for them at finite temperature is fully discussed.The analytic structure of the phonon Green's function is then considered. This function is shown to be bounded and invertible everywhere off the real axis; a spectral form is derived for its inverse. The symmetries imposed by the point group of the crystal are then discussed.Assuming small ionic oscillations, we find the inverse of the phonon Green's function as a linear function of the electronic contribution to the dielectric response function of the metal. This dielectric function is shown to be simply related to the longitudinal part of the conductivity tensor that gives the response of the electrons to the effective electric field in the metal. The assumption of translational invariance then leads to an explicit expression for the phonon Green's function in terms of this conductivity.The deformations in the lattice induced by an arbitrarily time varying external force are calculated in terms of the retarded phonon Green's function. In the static long wavelength limit the phonon Green's function yields the macroscopic elastic constants of the crystal. Their relation to the conductivity is exhibited, and several elastic constants are estimated. We also see that the complete phonon spectrum and the lifetimes of the phonon states may be calculated from this Green's function. A relation between the long wavelength acoustic attenuation in metals and the de conductivity is derived, which is in good agreement with recent experiments. Furthermore, the ions in a metal are shown to have a high-frequency oscillation along with the electrons, at essentially the electron plasma frequency.     

Multiple band electron-phonon transport theory: II. Derivation of transport equation

For an electron-phonon system with several equivalent bands a closed set of integral equations is solved self-consistently using real-time Green's functions. A multiple-band Peierls-Boltzmann equation is deduced from the Bethe-Salpeter equation for the electron density. Relaxation-time approximation together with local particle number conservation allows the calculation of the dielectric response and the displacement response generalized for the multiple-band case. The poles of the latter response function, essentially governed by electron density fluctuations, determine three coupled modes. A soft-mode instability is found in agreement with A15- compounds.     

Theory of elementary excitations and the metal-insulator transition of semiconductor surfaces

The microscopic theory of density and spin response of surface systems and its application to elementary excitations is discussed. Particular emphasis is placed on semiconductor surfaces, for which the often-used jellium approximation is not valid. The discussion is based on a solution of Maxwell's equations or, formally, of the Bethe-Salpeter equation for the two-particle Green's function of the surface system. This solution is achieved in a local wave function representation and takes density fluctuations on a microscopic scale (surface profile and local-field effects parallel to the surface) into account. Many-body effects of random-phase (RPA) and electron-hole type are included. The resulting spin and density response functions present a practical scheme for a microscopic calculation of surface elementary excitations in conducting as well as non-conducting solids. As examples, the conditions for the appearance of an electronic (charge- and spin-density) instability at the surface and the coupling of the resulting charge-density wave to the lattice are studied in detail.Results of quantitative calculations of the charge- and spin-density-response function of the Si(111) surface establish the importance of including both excitonic (electron-hole) and (RPA) local-field many-body interactions. In particular, they lead to an instability of the ideal paramagnetic surface with respect to spin-density waves (SDW) with wavelength corresponding to the observed (2 × 1) and (7 × 7) superstructures. Another example deals with an a-priori calculation of the phonons and the electron-phonon interaction of the same surface system. Various results of the theory such as phonon softening due to the coupling of the charge-density fluctuations to the lattice are summarized and general aspects of the importance of many-body effects for the a-priori determination of surface structures via elementary excitations are discussed.     

Application of complex energy integration to selfconsistent electronic structure calculations

In electronic structure calculations the charge density is obtained by an energy integral over the one-electron Green's function, which especially for transition or rare earth metals is strongly structured. We show that a replacement of this integral by a contour integral in the complex energy plane allows a very efficient and accurate calculation of the charge density. Schrödinger's equation has to be solved only for a rather small number of complex energies along the integration path. We demonstrate the efficiency of this method for impurity calculations in Cu using the KKR-Green's function method and also discuss a possible application to band structure calculations.     

Statistical Theory of the Phonon Drag Force Acting on a Conduction Electron

Within the framework of microscopic fluctuation-dissipation theory, we obtain the stochastic equation describing the Brownian motion of an electron in the phonon field of the crystal lattice. An expression for the Green’s function of the phonon field is found in general form and for the case of linear phonon-variable interaction of an electron with the phonon field with allowance for the potential screening of crystal-lattice nuclei. An expression for the phonon drag acting on a conduction electron in the lattice field is found and analyzed with allowance for the interaction. Frequency dependence of the coefficient of the phonon drag acting on a conduction electron is studied and the contribution of the electron-phonon interaction to the effective mass of a charge carrier is determined.__________Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 48, No. 3, pp. 249–268, March 2005.     

On the theory of superconductivity in the extended Hubbard model

A microscopic theory of superconductivity in the extended Hubbard model which takes into account the intersite Coulomb repulsion and electron-phonon interaction is developed in the limit of strong correlations. The Dyson equation for normal and pair Green functions expressed in terms of the Hubbard operators is derived. The self-energy is obtained in the noncrossing approximation. In the normal state, antiferromagnetic short-range correlations result in the electronic spectrum with a narrow bandwidth. We calculate superconducting T _c by taking into account the pairing mediated by charge and spin fluctuations and phonons. We found the d-wave pairing with high-T _c mediated by spin fluctuations induced by the strong kinematic interaction for the Hubbard operators. Contributions to the d-wave pairing coming from the intersite Coulomb repulsion and phonons turned out to be small.     

Many-Polaron States in the Holstein–Hubbard Model

A variational approach is proposed to study some properties of the adiabatic Holstein–Hubbard model which describes an assembly of fermionic charges interacting with a static atomic lattice. The sum of the electronic energy and the lattice elastic energy is proved to have minima with a many-polaron structure in a certain domain of model parameters. Our analytical work consists in expanding these energy minima from the zero electronic transfer limit which remarkably holds for a finite amplitude of the onsite Hubbard repulsion and for an unbounded lattice size.     

Equation of motion method for composite field operators

The Greens function formalism in Condensed Matter Physics is reviewed within the equation of motion approach. Composite operators and their Greens functions naturally appear as building blocks of generalized perturbative approaches and require fully self-consistent treatments in order to be properly handled. It is shown how to unambiguously set the representation of the Hilbert space by fixing both the unknown parameters, which appear in the linearized equations of motion and in the spectral weights of non-canonical operators, and the zero-frequency components of Greens functions in a way that algebra and symmetries are preserved. To illustrate this procedure some examples are given: the complete solution of the two-site Hubbard model, the evaluation of spin and charge correlators for a narrow-band Bloch system, the complete solution of the three-site Heisenberg model, and a study of the spin dynamics in the Double-Exchange model.Received: 9 June 2003, Published online: 19 November 2003PACS: 71.10.-w Theories and models of many-electron systems - 71.27. + a Strongly correlated electron systems; heavy fermions - 71.10.Fd Lattice fermion models (Hubbard model, etc.)     

Quantum interference in carbon nanotube intramolecular junction

The quantum conductance oscillations (QCOs) of the intramolecular junction (IMJ) composed of two single-wall carbon nanotubes (SWNTs) have been studied by using a π-orbital only tight-binding (TB) model and a Green’s function technique. It is found that in the IMJs in addition to the rapid QCO frequencies corresponding to the constituent tubes there exist also their sum frequencies. The slow QCO frequencies of the IMJ will be different from those of its corresponding two perfect tubes if they have different chiral angles.