Unified phase diagram of models exhibiting neutral-ionic transition

We have studied the neutral-ionic transition in organic mixed-stack compounds. A unified model has been derived which, in limiting cases, is equivalent to the models proposed earlier, the donor-acceptor model and the ionic Hubbard model. Detailed numerical calculations have been performed on this unified model with the help of the density-matrix renormalization-group (DMRG) procedure calculating excitation gaps, ionicity, lattice site entropy, two-site entropy, and the dimer order parameter on long chains and the unified phase diagram has been determined.Comment: 11 pages, 8 figure

Mott transition and dimerization in the one-dimensional SU(n)(n) Hubbard model

The one-dimensional SU$(n)$ Hubbard model is investigated numerically for $n=2,3,4$, and 5 at half filling and $1/n$ filling using the density-matrix renormalization-group (DMRG) method. The energy gaps and various quantum information entropies are calculated. In the half-filled case, finite spin and charge gaps are found for arbitrary positive $U$ if $n > 2$. Furthermore, it is shown that the transition to the gapped phase at $U_{\rm c}=0$ is of Kosterlitz-Thouless type and is accompanied by a bond dimerization both for even and odd $n$. In the $1/n$-filled case, the transition has similar features as the metal-insulator transition in the half-filled SU(2) Hubbard model. The charge gap opens exponentially slowly for $U>U_{\rm c}=0$, the spin sector remains gapless, and the ground state is non-dimerized.Comment: 9 pages, 12 figure

Periodic Anderson model with correlated conduction electrons: Variational and exact diagonalization study

We investigate an extended version of the periodic Anderson model (the so-called periodic Anderson-Hubbard model) with the aim to understand the role of interaction between conduction electrons in the formation of the heavy-fermion and mixed-valence states. Two methods are used: (i) variational calculation with the Gutzwiller wave function optimizing numerically the ground-state energy and (ii) exact diagonalization of the Hamiltonian for short chains. The f-level occupancy and the renormalization factor of the quasiparticles are calculated as a function of the energy of the f orbital for a wide range of the interaction parameters. The results obtained by the two methods are in reasonably good agreement for the periodic Anderson model. The agreement is maintained even when the interaction between band electrons, U d, is taken into account, except for the half-filled case. This discrepancy can be explained by the difference between the physics of the one- and higher-dimensional models. We find that this interaction shifts and widens the energy range of the bare f level, where heavy-fermion behavior can be observed. For large-enough U d this range may lie even above the bare conduction band. The Gutzwiller method indicates a robust transition from Kondo insulator to Mott insulator in the half-filled model, while U d enhances the quasiparticle mass when the filling is close to half filling. © 2012 American Physical Society

Periodic anderson model with d-f interaction

We investigate an extended version of the periodic Anderson model where an interaction is switched on between the doubly occupied d- and f-sites. We perform variational calculations using the Gutzwiller trial wave function. We calculate the f-level occupancy as a function of the f-level energy with different interaction strengths. It is shown that the region of valence transition is sharpened due to the new interaction

Hubbard physics in the symmetric half-filled periodic Anderson-Hubbard model

Two very different methods -- exact diagonalization on finite chains and a variational method -- are used to study the possibility of a metal-insulator transition in the symmetric half-filled periodic Anderson-Hubbard model. With this aim we calculate the density of doubly occupied $d$ sites as a function of various parameters. In the absence of on-site Coulomb interaction ($U_f$) between $f$ electrons, the two methods yield similar results. The double occupancy of $d$ levels remains always finite just as in the one-dimensional Hubbard model. Exact diagonalization on finite chains gives the same result for finite $U_f$, while the Gutzwiller method leads to a Brinkman-Rice transition at a critical value ($U_d^c$), which depends on $U_f$ and $V$.Comment: 10 pages, 5 figure

Phase Diagram of the tt--UU--V1V_1--V2V_2 Model at Quarter Filling

We examine the ground-state properties of the one-dimensional Hubbard model at quarter filling with Coulomb interactions between nearest-neighbors $V_1$ and next-nearest neighbors $V_2$. Using the density-matrix renormalization group and exact diagonalization methods, we obtain an accurate ground-state phase diagram in the $V_1$-$V_2$ plane with three different phases: $2k_{\rm F}$- and $4k_{\rm F}$-charge-density-wave and a broad metallic phase in-between. The metal is a Tomonaga-Luttinger-liquid whose critical exponent $K_{\rho}$ is largest around $V_1=2V_2$, where $V_1$ and $V_2$ are frustrated, and smallest, $K_{\rho}=0.25$, at the boundaries between the metallic phase and each of the two ordered phases.Comment: 4 pages, 5 figures, sumitted to PR

Spectral sum rules for the Tomonaga-Luttinger model

In connection with recent publications we discuss spectral sum rules for the Tomonaga-Luttinger model without using the explicit result for the one-electron Green's function. They are usefull in the interpretation of recent high resolution photoemission spectra of quasi-one-dimensional conductors. It is shown that the limit of infinite frequency and band cut\-off do not commute. Our result for arbitrary shape of the interaction potential generalizes an earlier discussion by Suzumura. A general analytical expression for the spectral function for wave vectors far from the Fermi wave vector $k_{F}$ is presented. Numerical spectra are shown to illustrate the sum rules.Comment: 9 pages, REVTEX 3.0, 2 figures added as postscript file

Probable absence of a quadrupolar spin-nematic phase in the bilinear-biquadratic spin-1 chain

We study numerically the ground-state phase diagram of the bilinear-biquadratic spin-1 chain near the ferromagnetic instability point, where the existence of a gapped or gapless nondimerized quantum nematic phase has been suggested. Our results, obtained by a highly accurate density-matrix renormalization-group (DMRG) calculation are consistent with the view that the order parameter characterizing the dimer phase vanishes only at the point where the system becomes ferromagnetic, although the existence of a gapped or gapless nondimerized phase in a very narrow parameter range between the ferromagnetic and the dimerized regimes cannot be ruled out.Comment: 6 pages, 6 figure

Ground state phases of the Half-Filled One-Dimensional Extended Hubbard Model

Using quantum Monte Carlo simulations, results of a strong-coupling expansion, and Luttinger liquid theory, we determine quantitatively the ground state phase diagram of the one-dimensional extended Hubbard model with on-site and nearest-neighbor repulsions U and V. We show that spin frustration stabilizes a bond-ordered (dimerized) state for U appr. V/2 up to U/t appr. 9, where t is the nearest-neighbor hopping. The transition from the dimerized state to the staggered charge-density-wave state for large V/U is continuous for U up to appr. 5.5 and first-order for higher U.Comment: 4 pages, 4 figure

Phase Transitions Between Topologically Distinct Gapped Phases in Isotropic Spin Ladders

We consider various two-leg ladder models exhibiting gapped phases. All of these phases have short-ranged valence bond ground states, and they all exhibit string order. However, we show that short-ranged valence bond ground states divide into two topologically distinct classes, and as a consequence, there exist two topologically distinct types of string order. Therefore, not all gapped phases belong to the same universality class. We show that phase transitions occur when we interpolate between models belonging to different topological classes, and we study the nature of these transitions.Comment: 11 pages, 16 postscript figure