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International Journal of Quantum Chemistry

Energy spectrum of extended Hubbard model with spin‐dependent hopping and related spin ladder model

Vladyslav O. Cheranovskii, E. V. Ezerskaya, İ. Özkan

Published Apr 26, 2002• 0 citations
Publisher

Abstract

Abstract We studied the energy spectrum of the 1‐D extended Hubbard model with spin‐dependent hopping and related spin ladder system formed by two coupled XXZ spin 1/2 chains with the interchain interaction of Ising type. It was proved that the model excitation spectrum has no gap excepting some special values of z‐projection of the ground‐state total spin. The thorough analytic consideration of two‐magnon states was given. The existence up to five bound states at specified value of quasimomentum of the pair of inverted spins was shown. We also present the results of density matrix renormalization group calculations that showed nonadequacy of the pair approximation for n‐magnon bound states of the extended model with the strong electron–electron interactions. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002

DOI
10.1002/qua.10177

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Abstract We studied the energy spectrum of the 1‐D extended Hubbard model with spin‐dependent hopping and related spin ladder system formed by two coupled XXZ spin 1/2 chains with the interchain interaction of Ising type. It was proved that the model excitation spectrum has no gap excepting some special values of z‐projection of the ground‐state total spin. The thorough analytic consideration of two‐magnon states was given. The existence up to five bound states at specified value of quasimomentum of the pair of inverted spins was shown. We also present the results of density matrix renormalization group calculations that showed nonadequacy of the pair approximation for n‐magnon bound states of the extended model with the strong electron–electron interactions. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002
We studied the energy spectrum of two coupled XY spin-1/2 chains with different exchange integrals and inter-chain interaction of Ising type. The thorough analytical treatment of two-magnon states was given for finite and infinite lattice strips. To study the case of macroscopic number of inverted spins we used the corresponding density matrix renormalization group (DMRG) simulation. We also derived the self-consistent Bardeen-Cooper-Schrieffer (BCS) estimates for the lowest energies of the system. The comparison of the BCS and the DMRG estimates has shown incorrect behaviour of the BCS approximation for energy as a function of the intra-chain exchange integrals. To use the analytical results for two-magnon bound states we proposed a simple approximate formula for the lowest n -magnon energies of an infinite ladder with a more correct dependence on model parameters.
We investigate a ladder system with two inequivalent legs, namely, a Hubbard chain and a one-dimensional electron gas. Analytical approximations, the density-matrix renormalization group method, and continuous-time quantum Monte Carlo simulations are used to determine ground-state properties, gaps, and spectral functions of this system at half-filling. Evidence for the existence of four different phases as a function of the Hubbard interaction and the rung hopping is presented. First, a Luttinger liquid exists at very weak interchain hopping. Second, a Kondo-Mott insulator with spin and charge gaps induced by an effective rung exchange coupling is found at moderate interchain hopping or strong Hubbard interaction. Third, a spin-gapped paramagnetic Mott insulator with incommensurate excitations and pairing of doped charges is observed at intermediate values of the rung hopping and the interaction. Fourth, the usual correlated band insulator is recovered for large rung hopping. We show that the wave numbers of the lowest single-particle excitations are different in each insulating phase. In particular, the three gapped phases exhibit markedly different spectral functions. We discuss the relevance of asymmetric two-leg ladder systems as models for atomic wires deposited on a substrate.
We derive two-loop renormalization group equations for the half filled one-dimensional Hubbard chains coupled by the interchain hopping. Our renormalization group scheme for the quasi-one-dimensional electron system is a natural extension of that for the purely one-dimensional systems in the sense that transverse-momentum dependences are introduced in the ggg-ological coupling constants and we regard the transverse momentum as a patch index. We develop symmetry arguments for the particle-hole symmetric half filled Hubbard model and obtain constraints on the ggg-ological coupling constants by which resultant renormalization equations are given in a compact form. By solving the renormalization group equations numerically, we estimate the magnitude of excitation gaps and clarify that the charge gap is suppressed due to the interchain hopping but is always finite even for the relevant interchain hopping. To show the validity of the present analysis, we also apply this to the two-leg ladder system. By utilizing the field-theoretical Bosonization and Fermionization method, we derive low-energy effective theory and analyze the magnitude of all the excitation gaps in detail. It is shown that the low-energy excitations in the two-leg Hubbard ladder have $\mathrm{SO}(3)\ifmmode\times\else\texttimes\fi{}\mathrm{SO}(3)\ifmmode\times\else\texttimes\fi{}\mathrm{U}(1)$ symmetry when the interchain hopping exceeds the magnitude of the charge gap.
We calculate spin and charge excitation spectra of the one-dimensional (1D) quarter-filled Hubbard model with nearest-neighbor ttt and next-nearest-neighbor ${t}^{\ensuremath{'}}$ hopping integrals using the dynamical density-matrix renormalization group technique. We consider a case where ttt (>0)(>0)(>0) is much smaller than ${t}^{\ensuremath{'}}$ (>0)(>0)(>0). First, we examine the accuracy of our method based on comparison between our result and exact noninteracting spectrum. Next, we investigate the spectra with the on-site Coulomb interaction. We find that the spin and charge excitation spectra are essentially the same as those of the 1D quarter-filled Hubbard (and $t\text{\ensuremath{-}}J$) model for the two 1D chains along the hopping integral ${t}^{\ensuremath{'}}$. However, the hopping integral ttt $(<{t}^{\ensuremath{'}})$ plays a crucial role in the short-range correlations and low-energy excitaions; ferromagnetic correlation between electrons on neighboring sites is enhanced and pairing correlation between the electrons is induced. Consequently, a spin-triplet superconducting state may be derived.
The properties of the two-chain Hubbard model doped away from half-filling are investigated with the density matrix renormalization group. The charge gap is found to vanish, but a finite spin gap phase exists over a range of interchain hopping strength t ⊥ . In this phase, there are modified d x 2 - y 2 pairing correlations which exhibit a power law decay while both the 2 k F spin and charge correlations are short range. Above a critical value of t ⊥ , the system behaves as a Luttinger liquid.
We study the effects of charge degrees of freedom on the spin excitation dynamics in quasi-one-dimensional magnetic materials. Using the density matrix renormalization group method, we calculate the dynamical spin structure factor of the Hubbard model at half electronic filling on a chain and on a ladder geometry, and compare the results with those obtained using the Heisenberg model, where charge degrees of freedom are considered frozen. For both chains and two-leg ladders, we find that the Hubbard model spectrum qualitatively resembles the Heisenberg spectrum---with low-energy peaks resembling spinonic excitations---already at intermediate on-site repulsion as small as $U/t\ensuremath{\sim}2--3$, although ratios of peak intensities at different momenta continue evolving with increasing U/tU/tU/t converging only slowly to the Heisenberg limit. We discuss the implications of these results for neutron scattering experiments and we propose criteria to establish the values of U/tU/tU/t of quasi-one-dimensional systems described by one-orbital Hubbard models from experimental information.