Correlation Effects in a One-Dimensional Quarter-Filled Electron System with Repulsive Interactions

A one-dimensional electron system at quarter-filling has been examined by applying the renormalization group method to a bosonized model with on-site (U) and nearest-neighbor (V) repulsive interactions. By evaluating both normal scattering and Umklapp scattering perturbatively, we obtain a phase diagram in which a metallic state with a 2k_F spin density wave (k_F is the Fermi wave number) moves into an insulating state with charge disproportionation of a 4k_F charge density wave with an increase in both U and V. The effect of the next-nearest-neighbor repulsion is also discussed.Comment: 4 pages, 2 figures, to be published in J. Phys. Soc. Jpn. 69 (2000) No.

Coexisting orders in the quarter-filled Hubbard chain with elastic deformations

The electronic properties of the quarter-filled extended Peierls-Holstein-Hubbard model that includes lattice distortions and molecular deformations are investigated theoretically using the bosonization approach. We predict the existence of a wide variety of charge-elastic phases depending of the values of the Peierls and Holstein couplings. We include the effect of the Peierls deformation in the nearest-neighbor repulsion V, that may be present in real materials where Coulomb interactions depend strongly on the distance, and we show that the phase diagram changes substantially for large V when this term is taken into account.Comment: 6 pages, 3 figure

Tricritical Behavior in Charge-Order System

Tricritical point in charge-order systems and its criticality are studied for a microscopic model by using the mean-field approximation and exchange Monte Carlo method in the classical limit as well as by using the Hartree-Fock approximation for the quantum model. We study the extended Hubbard model and show that the tricritical point emerges as an endpoint of the first-order transition line between the disordered phase and the charge-ordered phase at finite temperatures. Strong divergences of several fluctuations at zero wavenumber are found and analyzed around the tricritical point. Especially, the charge susceptibility chi_c and the susceptibility of the next-nearest-neighbor correlation chi_R are shown to diverge and their critical exponents are derived to be the same as the criticality of the susceptibility of the double occupancy chi_D0. The singularity of conductivity at the tricritical point is clarified. We show that the singularity of the conductivity sigma is governed by that of the carrier density and is given as |sigma-sigma_c|=|g-g_c|^{p_t}Alog{|g-g_{c}|}+B), where g is the effective interaction of the Hubbard model, sigma_c g_c represents the critical conductivity(interaction) and A and B are constants, respectively. Here, in the canonical ensemble, we obtain p_t=2beta_t=1/2 at the tricritical point. We also show that p_t changes into p_{t}'=2beta=1 at the tricritical point in the grand-canonical ensemble when the tricritical point in the canonical ensemble is involved within the phase separation region. The results are compared with available experimental results of organic conductor (DI-DCNQI)2Ag.Comment: 20 pages, 32 figures, to appear in J. Phys. Soc. Jpn. Vol.75(2006)No.

Effects of Next-Nearest-Neighbor Repulsion on One-Dimensional Quarter-Filled Electron Systems

We examine effects of the next-nearest-neighbor repulsion on electronic states of a one-dimensional interacting electron system which consists of quarter-filled band and interactions of on-site and nearest-neighbor repulsion. We derive the effective Hamiltonian for the electrons around wave number \pm \kf (\kf: Fermi wave number) and apply the renormalization group method to the bosonized Hamiltonian. It is shown that the next-nearest-neighbor repulsion makes 4\kf-charge ordering unstable and suppresses the spin fluctuation. Further the excitation gaps and spin susceptibility are also evaluated.Comment: 19 pages, 8 figures, submitted to J. Phys. Soc. Jp

Finite-temperature phase transitions in quasi-one-dimensional molecular conductors

Phase transitions in 1/4-filled quasi-one-dimensional molecular conductors are studied theoretically on the basis of extended Hubbard chains including electron-lattice interactions coupled by interchain Coulomb repulsion. We apply the numerical quantum transfer-matrix method to an effective one-dimensional model, treating the interchain term within mean-field approximation. Finite-temperature properties are investigated for the charge ordering, the "dimer Mott" transition (bond dimerization), and the spin-Peierls transition (bond tetramerization). A coexistent state of charge order and bond dimerization exhibiting dielectricity is predicted in a certain parameter range, even when intrinsic dimerization is absent.Comment: to be published in J. Phys. Soc. Jpn., Vol. 76 (2007) No. 1 (5 pages, 4 figures); typo correcte

Finite-Temperature Charge-Ordering Transition and Fluctuation Effects in Quasi-One-Dimensional Electron Systems at Quarter Filling

Finite-temperature charge-ordering phase transition in quasi one-dimensional (1D) molecular conductors is investigated theoretically, based on a quasi 1D extended Hubbard model at quarter filling with interchain Coulomb repulsion $V_\perp$. The interchain term is treated within mean-field approximation whereas the 1D fluctuations in the chains are fully taken into account by the bosonization theory. Three regions are found depending on how the charge ordered state appears at finite temperature when $V_\perp$ is introduced: (i) weak-coupling region where the system transforms from a metal to a charge ordered insulator with finite transition temperature at a finite critical value of $V_\perp$, (ii) an intermediate region where this transition occurs by infinitesimal $V_\perp$ due to the stability of inherent 1D fluctuation, and (iii) strong-coupling region where the charge ordered state is realized already in the purely 1D case, of which the transition temperature becomes finite with infinitesimal $V_\perp$. Analytical formula for the $V_\perp$ dependence of the transition temperature is derived for each region.Comment: 4 pages, submitted to J. Phys. Soc. Jp

Finite-Temperature Properties across the Charge Ordering Transition -- Combined Bosonization, Renormalization Group, and Numerical Methods

We theoretically describe the charge ordering (CO) metal-insulator transition based on a quasi-one-dimensional extended Hubbard model, and investigate the finite temperature ($T$) properties across the transition temperature, $T_{\rm CO}$. In order to calculate $T$ dependence of physical quantities such as the spin susceptibility and the electrical resistivity, both above and below $T_{\rm CO}$, a theoretical scheme is developed which combines analytical methods with numerical calculations. We take advantage of the renormalization group equations derived from the effective bosonized Hamiltonian, where Lanczos exact diagonalization data are chosen as initial parameters, while the CO order parameter at finite-$T$ is determined by quantum Monte Carlo simulations. The results show that the spin susceptibility does not show a steep singularity at $T_{\rm CO}$, and it slightly increases compared to the case without CO because of the suppression of the spin velocity. In contrast, the resistivity exhibits a sudden increase at $T_{\rm CO}$, below which a characteristic $T$ dependence is observed. We also compare our results with experiments on molecular conductors as well as transition metal oxides showing CO.Comment: 9 pages, 8 figure

The ferroelectric Mott-Hubbard phase of organic (TMTTF)2X conductors

We present experimental evidences for a ferro-electric transition in the family of quasi one- dimensional conductors (TMTTF)2X. We interpret this new transition in the frame of the combined Mott-Hubbard state taking into account the double action of the spontaneous charge disproportionation on the TMTTF molecular stacks and of the X anionic potentials

Antiferromagnetic Phases of One-Dimensional Quarter-Filled Organic Conductors

The magnetic structure of antiferromagnetically ordered phases of quasi-one-dimensional organic conductors is studied theoretically at absolute zero based on the mean field approximation to the quarter-filled band with on-site and nearest-neighbor Coulomb interaction. The differences in magnetic properties between the antiferromagnetic phase of (TMTTF)$_2$X and the spin density wave phase in (TMTSF)$_2$X are seen to be due to a varying degrees of roles played by the on-site Coulomb interaction. The nearest-neighbor Coulomb interaction introduces charge disproportionation, which has the same spatial periodicity as the Wigner crystal, accompanied by a modified antiferromagnetic phase. This is in accordance with the results of experiments on (TMTTF)$_2$Br and (TMTTF)$_2$SCN. Moreover, the antiferromagnetic phase of (DI-DCNQI)$_2$Ag is predicted to have a similar antiferromagnetic spin structure.Comment: 8 pages, LaTeX, 4 figures, uses jpsj.sty, to be published in J. Phys. Soc. Jpn. 66 No. 5 (1997