Synergistic polaron formation in the Hubbard-Holstein model at small doping

We study the effect of dynamical Holstein phonons on the physics of the Hubbard model at small doping using the dynamical cluster approximation on a 2x2 cluster. Nonlocal antiferromagnetic correlations are found to significantly enhance the electron-phonon coupling, resulting in polaron formation for moderate coupling strengths. At finite doping, the electron-phonon coupling is found to strongly enhance the nonlocal spin correlations, indicating a synergistic interplay between the electron-phonon coupling and antiferromagnetic correlations. Although it enhances the pairing interaction, the electron-phonon coupling is found to decrease the superconducting transition temperature, due to the reduction in the quasiparticle fraction.     

Effective electron Hamiltonian for a quasi one-dimensional system. The (TMTSF)2X and the (TMTTF)2X systems

In this paper we have introduced a variational approach to investigate the ground state of a model which includes both the Holstein electron-phonon interaction and the extended Hubbard electron-electron interaction. We have considered a variational state for the phonon subsystem which generalizes the previous used forms. This state allows to take into account the possibility of extended phonon mediated correlations. The effective electron Hamiltonian, which we have obtained, includes first and second neighbor electron-electron interaction terms. We have treated exactly, through a Lanczos method, this effective model in the one-dimensional case. We have applied our method to two Bechgaard salts and in these cases we have estimated the correlation parameters. We have shown that the introduction of electron-phonon interaction allows an estimate of the on site U and nearest-neighbor V Coulomb repulsion, which are in agreement with the experimental optical spectra of the above mentioned two compounds. Received: 30 October 1997 / Revised: 28 January 1998 / Accepted: 10 April 1998     

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.     

Transport properties determinations of the one-dimensional,half-filled band Holstein-Frölich modified Hubbard model

The magnetic susceptibility, electrical conductivity, and specific heat of the Holstein-Fröhlich modified Hubbard model are obtained with the restriction that the chemical potential μ be identically equal to one-half the intra-atomic electronic Coulomb repulsion U. Contributions to the conductivity for all driving frequencies ω are obtained. The specific heat calculation yields electron-phonon interaction corrections, but the susceptibility results are the same as those for the insulator limit Hubbard model.     

Renormalized quasiparticles in antiferromagnetic states of the Hubbard model

We analyze the properties of the quasiparticle excitations of metallic antiferromagnetic states in a strongly correlated electron system. The study is based on dynamical mean field theory (DMFT) for the infinite dimensional Hubbard model with antiferromagnetic symmetry breaking. Self-consistent solutions of the DMFT equations are calculated using the numerical renormalization group (NRG). The low energy behavior in these results is then analyzed in terms of renormalized quasiparticles. The parameters for these quasiparticles are calculated directly from the NRG derived self-energy, and also from the low energy fixed point of the effective impurity model. From these the quasiparticle weight and the effective mass are deduced. We show that the main low energy features of the k-resolved spectral density can be understood in terms of the quasiparticle picture. We also find that Luttinger's theorem is satisfied for the total electron number in the doped antiferromagnetic state.     

Theory of optical conductivity and photoemission intensity for Cu---O plane superconductors

The quasiparticle self-energy and the dynamic spin and charge susceptibilities are calculated self-consistently in RPA for the two-dimensional Hubbard model with additional electron-phonon interaction. Vertex corrections lead to an enhancement of charge fluctuations and a suppression of spin fluctuations, thus increasing T_c. The resulting optical reflectivity in the normal and superconducting state is found to be in qualitative agreement with the experiment data on YBa₂Cu₃O₇ for intermediate values of λ_ph and U/t. We calculate also the photoemission intensity in the normal and superconducting state.     

Polarons in thet-J model

A convenient form of the Peierls-Hubbard Hamiltonian is obtained for the case when the Hubbard repulsion is the largest energy parameter. It allows to consider in the spin-wave approximation the properties of the one-hole low-lying excitations of a 2d lattice. For the parameters approximately corresponding to La₂CuO₄ it is shown that the hole polarons in the CuO₂ planes of lightly doped samples are of large size with a solitonlike-shaped highly asymmetric wave function oriented along the diagonals of the planes or of small size depending on the value of the electron-phonon coupling. In both cases the cooperative effect of the electron-phonon and electron-magnon interactions leads to a large effective mass and to hopping transport of the excitations, with preferential jumps along the diagonals in the former case and rotationally symmetric in the latter. For hoping matrix elements which are small in comparison with a phonon quantum the competition between the interactions leads to the decrease of the total spin in the ground state with increasing electron-phonon coupling.     

Renormalization of the chemical potential due to multiphonon effects at the surface of metals

We study the relation between renormalization of the chemical potential due to multiphonon effects at the surface of Be(0001) and doping by solving the strong-coupling self-consistent equations of a two-dimensional(2D) electron-phonon interaction system.We present the quasiparticle dispersions and inverse lifetimes of a 2D electron system interacting with Einstein phonons under the different dopings(corresponding to chemical potentials).We find that the effect of electron-phonon interaction on electron structure is strongest at the half filling,but it has no effect on the chemical potential.However,the chemical potential shows distinct renormalization effects away from half filling due to the electron-phonon interaction.     

Effective electron–electron and electron–phonon interactions in the Hubbard–Holstein model

We investigate the interplay between the electron–electron and the electron–phonon interaction in the Hubbard–Holstein model. We implement the flow-equation method to investigate within this model the effect of correlation on the electron–phonon effective coupling and, conversely, the effect of phonons in the effective electron–electron interaction. Using this technique we obtain analytical momentum-dependent expressions for the effective couplings and we study their behavior for different physical regimes. In agreement with other works on this subject, we find that the electron–electron attraction mediated by phonons in the presence of Hubbard repulsion is peaked at low transferred momenta. The role of the characteristic energies involved is also analyzed.     

Slave-boson phase diagram of the two-dimensional extended Hubbard model: Influence of electron-phonon coupling

We present a detailed study of the extended Hubbard-Peierls model on a square lattice using the slave-boson method proposed by Kotliar and Ruckenstein. The emphasis is on the investigation of the ground state phase diagram. To compare the relative stability of several homogenous phases, the effective bosonized action was evaluated by means of a two-sublattice saddlepoint approximation which allows for the symmetry broken states compatible with the underlying bipartite lattice structure. Paying particular attention to the interplay of electron-electron and electron-phonon interaction, we take into account various types of magnetic ordered phases, i.e. para-, ferro-, ferri-, and antiferromagnetic states, as well as charge ordered phases, e.g. a static (, ) Peierls distorted state. Furthermore the approach has been applied to the following special cases: the Hubbard model, the extended Hubbard model, and the Hubbard-Peierls model. A careful numerical solution of the corresponding self-consistency equations enables us to map out the ground-state phase diagrams of the various models at arbitrary band filling over the whole range of interaction strength. In the phase diagram of the Hubbard model we found a large region with ferrimagnetic order away from half-filling. The phase diagram of the halffilled band extended Hubbard model shows a first-order transition from a spin-density-wave to a charge-density-wave state which is displaced from the mean-field lineU=4V towards largerV. At large negativeU andV we obtain a domain with charge separation. The phase compares favorably with earlier quantum Monte-Carlo results. Including the local electron-phonon coupling the charge-density-wave region is considerably enlarged. Away from half-filling the phase diagram becomes more complex: besides the pure magnetic phases we obtain ferri- and paramagnetic states which show additional charge-density order. Aspects of phase separation are discussed. Finally we investigate the variation of the different gap and order parameters along characteristic lines in the parameter space and determine the renormalized quasiparticle bands.     

Holstein极化子能带和有效质量的温度依赖性

使用正则变换方法,考察了一维Holstein极化子能带和有效质量的温度依赖性。结果表明,对于一定的电子声子耦合强度,Holstein极化子能带宽度随温度升高而变窄,有效质量随温度升高而增大。特别是当电子声子耦合强度足够大时,极化子能带宽度在很小的温度范围内会迅速地变为零,我们认为这种情况实际上是极化子从能带状态向自陷局域态的迅速转变,这与通常的相变现象有点相类似。当电子声子耦合常数越大时,极化子有效质量随温度的升高而增加得越快。很显然,研究电子声子相互作用,对理解固体的光学和输运等性质将有重要的意义。     

Effect of Holstein phonons on the optical conductivity of gapped graphene

We study the optical conductivity of a doped graphene when a sublattice symmetry breaking is occurred in the presence of the electron-phonon interaction. Our study is based on the Kubo formula that is established upon the retarded self-energy. We report new features of both the real and imaginary parts of the quasiparticle self-energy in the presence of a gap opening. We find an analytical expression for the renormalized Fermi velocity of massive Dirac Fermions over broad ranges of electron densities, gap values and the electron-phonon coupling constants. Finally we conclude that the inclusion of the renormalized Fermi energy and the band gap effects are indeed crucial to get reasonable feature for the optical conductivity.     

Magnetic and dynamic properties of the Hubbard model in infinite dimensions

An essentially exact solution of the infinite dimensional Hubbard model is made possible by using a self-consistent mapping of the Hubbard model in this limit to an effective single impurity Anderson model. Solving the latter with quantum Monte Carlo procedures enables us to obtain exact results for the one and two-particle properties of the infinite dimensional Hubbard model. In particular, we find antiferromagnetism and a pseudogap in the single-particle density of states for sufficiently large values of the intrasite Coulomb interaction at half filling. Both the antiferromagnetic phase and the insulating phase above the Néel temperature are found to be quickly suppressed on doping. The latter is replaced by a heavy electron metal with a quasiparticle mass strongly dependent on doping as soon asn<1. At half filling the antiferromagnetic phase boundary agrees surprisingly well in shape and order of magnitude with results for the three dimensional Hubbard model.     

Initial ion velocity in electron-stimulated desorption

The effect of electronic-shell repulsion and electron-phonon interaction among atoms of an adsorption complex on the initial ion velocity is considered.     

Effective mass decrease due to electron-phonon interaction in heavy fermion systems

It is argued that in heavy fermion systems the electron-phonon interaction results in a decrease of the quasiparticle mass. This is in contrast to ordinary metals where this interaction is known to increase the effective mass. A simple expression is derived which relates the effective mass change to the electronic Grüneisen parameter, the Kondo temperature and the bulk modulus. For CeRu₂Si₂ the effective-mass decrease is estimated to be 25%.     

Optical Conductivity of Graphene Sheet Including Electron-Phonon Interaction

Using an expression of optical conductivity,based on the linear response theory,the Green's function technique and within the Holstein Hamiltonian model,the effect of electron-phonon interaction on the optical conductivity of graphene plane is studied.It is found that the electron-phonon coupling increases the optical conductivity of graphene sheet in the low frequency region due to decreasing quasiparticle weight of electron excitation while the optical conductivity reduces in the high frequency region.The latter is due to role of electrical field's frequency.     

Specific heat jump in BCS superconductors

An exact analytical expression for the specific heat jump at the critical temperature T_c has been obtained directly from the BCS gap equation for any shape of the energy dependent electronic density of states (DOS). We consider a model which takes into consideration electron-electron repulsion, formulated in the Hubbard model along with the electron-electron attraction due to electron-phonon interaction in the BCS formalism. We have analyzed this expression for constant as well as for the Lorentzian forms of DOS. It is shown that the constant DOS in the simple BCS theory cannot explain the large values of , found in some superconductors. The specific heat versus temperature curve has been found to have a peak, similar to that of Eliashberg theory of superconductivity. The influence of repulsive interaction is very small and occurs mainly at higher temperatures. Received: 26 January 1998     

Coupling of electrons and phonons in a doped antiferromagnet

It is well-known that low-energy electronic excitations in high-T _c superconductors have energies of the order of the exchange couplingJ, i.e. of the same order as the phonon energies. Therefore, low-energy electronic excitations and phonons should strongly influence each other. To investigate this problem we consider a coupled electron-phonon system. For the electronic degrees of freedom we start from the three band Hubbard or Emery model. In analogy to the transformation of the three band Hubbard model to thet?J model, studied by Zhang and Rice, we derive an effective electron-phonon interaction. Its electronic degrees of freedom are those of thet?J model which couple to the phonons of the original system. The coupling of electrons and phonons is discussed by means of the phonon Green function for a breathing-like mode.     

Quasiparticle relaxation in optically excited high-Q superconducting resonators

The quasiparticle relaxation time in superconducting films has been measured as a function of temperature using the response of the complex conductivity to photon flux. For tantalum and aluminum, chosen for their difference in electron-phonon coupling strength, we find that at high temperatures the relaxation time increases with decreasing temperature, as expected for electron-phonon interaction. At low temperatures we find in both superconducting materials a saturation of the relaxation time, suggesting the presence of a second relaxation channel not due to electron-phonon interaction.     

Gutzwiller theory of band magnetism in LaOFeAs

We use the Gutzwiller variational theory to calculate the ground-state phase diagram and quasiparticle bands of LaOFeAs. The Fe3d-As4p Wannier-orbital basis obtained from density-functional theory defines the band part of our eight-band Hubbard model. The full atomic interaction between the electrons in the iron orbitals is parametrized by the Hubbard interaction U and an average Hund's-rule interaction J. We reproduce the experimentally observed small ordered magnetic moment over a large region of (U,J) parameter space. The magnetically ordered phase is a stripe spin-density wave of quasiparticles.