Effects of Next-Nearest-Neighbor Hopping on the Hole Motion in an Antiferromagnetic Background

In this paper we study the effect of next-nearest-neighbor hopping on the dynamics of a single hole in an antiferromagnetic (N\'{e}el) background. In the framework of large dimensions the Green function of a hole can be obtained exactly. The exact density of states of a hole is thus calculated in large dimensions and on a Bethe lattice with large coordination number. We suggest a physically motivated generalization to finite dimensions (e.g., 2 and 3). In $d=2$ we present also the momentum dependent spectral function. With varying degree, depending on the underlying lattice involved, the discrete spectrum for holes is replaced by a continuum background and a few resonances at the low energy end. The latter are the remanents of the bound states of the $t-J$ model. Their behavior is still largely governed by the parameters $t$ and $J$. The continuum excitations are more sensitive to the energy scales $t$ and $t_1$.Comment: To appear in Phys. Rev. B, Revtex, 23 pages, 10 figures available on request from [email protected]

Propagation of a hole on a Neel background

We analyze the motion of a single hole on a N\'eel background, neglecting spin fluctuations. Brinkman and Rice studied this problem on a cubic lattice, introducing the retraceable-path approximation for the hole Green's function, exact in a one-dimensional lattice. Metzner et al. showed that the approximationalso becomes exact in the infinite-dimensional limit. We introduce a new approach to this problem by resumming the Nagaoka expansion of the propagator in terms of non-retraceable skeleton-paths dressed by retraceable-path insertions. This resummation opens the way to an almost quantitative solution of the problemin all dimensions and, in particular sheds new light on the question of the position of the band-edges. We studied the motion of the hole on a double chain and a square lattice, for which deviations from the retraceable-path approximation are expected to be most pronounced. The density of states is mostly adequately accounted for by the retra\-ce\-able-path approximation. Our band-edge determination points towards an absence of band tails extending to the Nagaoka energy in the spectrums of the double chain and the square lattice. We also evaluated the spectral density and the self-energy, exhibiting k-dependence due to finite dimensionality. We find good agreement with recent numerical results obtained by Sorella et al. with the Lanczos spectra decoding method. The method we employ enables us to identify the hole paths which are responsible for the various features present in the density of states and the spectral density.Comment: 26 pages,Revte

Hole motion in the Ising antiferromagnet: an application of the recursion method

We study hole motion in the Ising antiferromagnet using the recursion method. Using the retraceable path approximation we find the hole's Green's function as well as its wavefunction for arbitrary values of $t/J_z$. The effect of small transverse interaction also is taken into account. Our results provide some additional insight into the self-consistent Born approximation.Comment: 8 pages, RevTex, no figures. Accepted for publication in Phys.Rev.

Plaquette operators used in the rigorous study of ground-states of the Periodic Anderson Model in D=2D = 2 dimensions

The derivation procedure of exact ground-states for the periodic Anderson model (PAM) in restricted regions of the parameter space and D=2 dimensions using plaquette operators is presented in detail. Using this procedure, we are reporting for the first time exact ground-states for PAM in 2D and finite value of the interaction, whose presence do not require the next to nearest neighbor extension terms in the Hamiltonian. In order to do this, a completely new type of plaquette operator is introduced for PAM, based on which a new localized phase is deduced whose physical properties are analyzed in detail. The obtained results provide exact theoretical data which can be used for the understanding of system properties leading to metal-insulator transitions, strongly debated in recent publications in the frame of PAM. In the described case, the lost of the localization character is connected to the break-down of the long-range density-density correlations rather than Kondo physics.Comment: 34 pages, 5 figure

Phase Diagram of the Extended Hubbard Model with Correlated Hopping Interaction

A one-dimensional model of interacting electrons with on-site $U$, nearest-neighbor $V$, and correlated-hopping interaction $T^{\ast}$ is studied at half-filling using the continuum-limit field theory approach. The ground state phase diagram is obtained for a wide range of coupling constants. In addition to the insulating spin- and charge-density wave phases for large $U$ and $V$, respectively, we identify bond-located ordered phases corresponding to an enhanced Peierls instability in the system for $T^\ast>0$, $|U-2V|<8T^\ast/\pi$ and to a staggered magnetization located on bonds between sites for $T^\ast<0$, $|U-2V|<8|T^\ast|/\pi$. The general ground state phase diagram including insulating, metallic, and superconducting phases is discussed.Comment: 8 pages, 4 eps-figure

Inhomogeneous superconductivity in organic conductors: role of disorder and magnetic field

Several experimental studies have shown the presence of spatially inhomogeneous phase coexistence of superconducting and non superconducting domains in low dimensional organic superconductors. The superconducting properties of these systems are found to be strongly dependent on the amount of disorder introduced in the sample regardless of its origin. The suppression of the superconducting transition temperature $T_c$ shows clear discrepancy with the result expected from the Abrikosov-Gor'kov law giving the behavior of $T_c$ with impurities. Based on the time dependent Ginzburg-Landau theory, we derive a model to account for the striking feature of $T_c$ in organic superconductors for different types of disorder by considering the segregated texture of the system. We show that the calculated $T_c$ quantitatively agrees with experiments. We also focus on the role of superconducting fluctuations on the upper critical fields $H_{c2}$ of layered superconductors showing slab structure where superconducting domains are sandwiched by non-superconducting regions. We found that $H_{c2}$ may be strongly enhanced by such fluctuations.Comment: to appear in Journal of Physics: Condensed Matte

Electronic states, Mott localization, electron-lattice coupling, and dimerization for correlated one-dimensional systems. II

We discuss physical properties of strongly correlated electron states for a linear chain obtained with the help of the recently proposed new method combining the exact diagonalization in the Fock space with an ab initio readjustment of the single-particle orbitals in the correlated state. The method extends the current discussion of the correlated states since the properties are obtained with varying lattice spacing. The finite system of N atoms evolves with the increasing interatomic distance from a Fermi-liquid-like state into the Mott insulator. The criteria of the localization are discussed in detail since the results are already convergent for N>=8. During this process the Fermi-Dirac distribution gets smeared out, the effective band mass increases by ~50%, and the spin-spin correlation functions reduce to those for the Heisenberg antiferromagnet. Values of the microscopic parameters such as the hopping and the kinetic-exchange integrals, as well as the magnitude of both intra- and inter-atomic Coulomb and exchange interactions are calculated. We also determine the values of various local electron-lattice couplings and show that they are comparable to the kinetic exchange contribution in the strong-correlation limit. The magnitudes of the dimerization and the zero-point motion are also discussed. Our results provide a canonical example of a tractable strongly correlated system with a precise, first-principle description as a function of interatomic distance of a model system involving all hopping integrals, all pair-site interactions, and the exact one-band Wannier functions.Comment: 18 pages, REVTEX, submitted to Phys. Rev.

Spectral and transport properties of doped Mott-Hubbard systems with incommensurate magnetic order

We present spectral and optical properties of the Hubbard model on a two-dimensional square lattice using a generalization of dynamical mean-field theory to magnetic states in finite dimension. The self-energy includes the effect of spin fluctuations and screening of the Coulomb interaction due to particle-particle scattering. At half-filling the quasiparticles reduce the width of the Mott-Hubbard `gap' and have dispersions and spectral weights that agree remarkably well with quantum Monte Carlo and exact diagonalization calculations. Away from half-filling we consider incommensurate magnetic order with a varying local spin direction, and derive the photoemission and optical spectra. The incommensurate magnetic order leads to a pseudogap which opens at the Fermi energy and coexists with a large Mott-Hubbard gap. The quasiparticle states survive in the doped systems, but their dispersion is modified with the doping and a rigid band picture does not apply. Spectral weight in the optical conductivity is transferred to lower energies and the Drude weight increases linearly with increasing doping. We show that incommensurate magnetic order leads also to mid-gap states in the optical spectra and to decreased scattering rates in the transport processes, in qualitative agreement with the experimental observations in doped systems. The gradual disappearence of the spiral magnetic order and the vanishing pseudogap with increasing temperature is found to be responsible for the linear resistivity. We discuss the possible reasons why these results may only partially explain the features observed in the optical spectra of high temperature superconductors.Comment: 22 pages, 18 figure

Metal-insulator transition in a doubly orbitally degenerate model with correlated hopping

In the present paper we propose a doubly orbitally degenerate narrow-band model with correlated hopping. The peculiarity of the model is taking into account the matrix element of electron-electron interaction which describes intersite hoppings of electrons. In particular, this leads to the concentration dependence of the effective hopping integral. The cases of the strong and weak Hund's coupling are considered. By means of a generalized mean-field approximation the single-particle Green function and quasiparticle energy spectrum are calculated. Metal-insulator transition is studied in the model at different integer values of the electron concentration. With the help of the obtained energy spectrum we find energy gap width and criteria of metal-insulator transition.Comment: minor revisions, published in Phys. Rev.

Reasoning Under Uncertainty: Towards Collaborative Interactive Machine Learning

In this paper, we present the current state-of-the-art of decision making (DM) and machine learning (ML) and bridge the two research domains to create an integrated approach of complex problem solving based on human and computational agents. We present a novel classification of ML, emphasizing the human-in-the-loop in interactive ML (iML) and more specific on collaborative interactive ML (ciML), which we understand as a deep integrated version of iML, where humans and algorithms work hand in hand to solve complex problems. Both humans and computers have specific strengths and weaknesses and integrating humans into machine learning processes might be a very efficient way for tackling problems. This approach bears immense research potential for various domains, e.g., in health informatics or in industrial applications. We outline open questions and name future challenges that have to be addressed by the research community to enable the use of collaborative interactive machine learning for problem solving in a large scale