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arXiv:cond-mat/0701579 · Physical Review B

Charge and spin excitation spectra in the one-dimensional Hubbard model with next-nearest-neighbor hopping

Satoshi Nishimoto, Tomonori Shirakawa, Y. Ohta

Published Mar 4, 2008• 5 citations
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Abstract

We calculate spin and charge excitation spectra of the one-dimensional (1D) quarter-filled Hubbard model with nearest-neighbor $t$ and next-nearest-neighbor ${t}^{\ensuremath{'}}$ hopping integrals using the dynamical density-matrix renormalization group technique. We consider a case where $t$ $(>0)$ is much smaller than ${t}^{\ensuremath{'}}$ $(>0)$. 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 $t$ $(<{t}^{\ensuremath{'}})$ 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.

DOI
10.1103/physrevb.77.115102

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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′{t}^{\ensuremath{'}}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′{t}^{\ensuremath{'}}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\ensuremath-Jt\text{\ensuremath{-}}Jt\ensuremath-J) model for the two 1D chains along the hopping integral t\ensuremath′{t}^{\ensuremath{'}}t\ensuremath′. However, the hopping integral ttt (<t\ensuremath′)(<{t}^{\ensuremath{'}})(<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 spin gap of a one-dimensional repulsive Hubbard model is numerically calculated with the density-matrix renormalization group, with a special emphasis on the effect of a next-nearest-neighbor hopping ${(t}^{\ensuremath{'}})$ and the nearest-neighbor ferromagnetic exchange (J)(J)(J) interaction. At half filling, a significant spin gap opens if $|{t}^{\ensuremath{'}}|\ensuremath{\simeq}|t|$ and J=0J=0J=0, in agreement with the weak-coupling theory, while the gap is strongly suppressed by the introduction of JJJ. On the other hand, the quarter-filled system has very small spin gaps regardless of the values of ${t}^{\ensuremath{'}}$ and JJJ. Implications for the CuO2{\mathrm{CuO}}_{2}CuO2​ chain in Sr14Cu24O41{\mathrm{Sr}}_{14}{\mathrm{Cu}}_{24}{\mathrm{O}}_{41}Sr14​Cu24​O41​ and related materials are discussed.
Ferromagnetism in the one-dimensional Hubbard model with the next-nearest-neighbor hopping is explored by using the exact-diagonalization method in a small cluster and the equation-of-motion method in the thermodynamic limit with electron density n = 3/2. With these two complementary methods, it is found that an intermediate value of the next-nearest-neighbor hopping amplitude t1 tends to stabilize the fully polarized ferromagnetic state under the condition that the on-site coulomb interaction U is sufficiently large in our model. The ground-state phase diagram of the model is presented in the t1—U plane.
We study the one-dimensional extended Hubbard model with alternating size of the hopping integrals using the density-matrix renormalization group method. We calculate the spin gap, the Tomonaga-Luttinger parameter, and the charge-density-wave order parameter for various dimerizations, interaction strengths, and band fillings. At half band-filling the spin and charge excitations are gapped but these gaps disappear for infinitesimal hole doping. At quarter filling, the umklapp scattering in the half-filled lower Peierls band generates a gap for the charge excitations but the gapless spin excitations can be described in terms of an effective antiferromagnetic Heisenberg model. Beyond a critical strength for the nearest-neighbor interaction, the dimerized extended Hubbard model at quarter filling develops a charge-density-wave ground state. The dimerization and the nearest-neighbor Coulomb interaction strongly reduce the Tomonaga-Luttinger parameter from its value for the bare Hubbard model. We discuss the relevance of our findings for the Bechgaard salts.
We study the one-dimensional Hubbard model with nearest-neighbor and next-nearest-neighbor hopping integrals by using the density-matrix renormalization group method and Hartree-Fock approximation. Based on the calculated results for the spin gap, total-spin quantum number, and Tomonaga-Luttinger-liquid parameter, we determine the ground-state phase diagram of the model in the entire filling and wide parameter region. We show that, in contrast to the weak-coupling regime where a spin-gapped liquid phase is predicted in the region with four Fermi points, the spin gap vanishes in a substantial region in the strong-coupling regime. It is remarkable that a large variety of phases, such as the paramagnetic metallic phase, spin-gapped liquid phase, singlet and triplet superconducting phases, and fully polarized ferromagnetic phase, appear in such a simple model in the strong-coupling regime.
We study the real-time evolution of a charge-excited state in a one-dimensional ege_{\rm g}eg​-orbital degenerate Hubbard model, by a time-dependent density-matrix renormalization group method. Considering a chain along the zzz direction, electrons hop between adjacent 3z2−r23z^2-r^23z2−r2 orbitals, while x2−y2x^2-y^2x2−y2 orbitals are localized. For the charge-excited state, a holon-doublon pair is introduced into the ground state at quarter filling. At initial time, there is no electron in a holon site, while a pair of electrons occupies 3z2−r23z^2-r^23z2−r2 orbital in a doublon site. As the time evolves, the holon motion is governed by the nearest-neighbor hopping, but the electron pair can transfer between 3z2−r23z^2-r^23z2−r2 orbital and x2−y2x^2-y^2x2−y2 orbital through the pair hopping in addition to the nearest-neighbor hopping. Thus holon and doublon propagate at different speed due to the pair hopping that is characteristic of multi-orbital systems.