Generic susceptibilities of the half-filled Hubbard model in infinite dimensions

Around a metal-to-insulator transition driven by repulsive interaction (Mott transition) the single particle excitations and the collective excitations are equally important. Here we present results for the generic susceptibilities at zero temperature in the half-filled Hubbard model in infinite dimensions. Profiting from the high resolution of dynamic density-matrix renormalization at all energies, results for the charge, spin and Cooper-pair susceptibilities in the metallic and the insulating phase are computed. In the insulating phase, an almost saturated local magnetic moment appears. In the metallic phase a pronounced low-energy peak is found in the spin response.Comment: 12 pages, 12 figures; slight changes and one additional figure due to referees' suggestion

Excitation Spectra of Structurally Dimerized and Spin-Peierls Chains in a Magnetic Field

The dynamical spin structure factor and the Raman response are calculated for structurally dimerized and spin-Peierls chains in a magnetic field, using exact diagonalization techniques. In both cases there is a spin liquid phase composed of interacting singlet dimers at small fields h < h_c1, an incommensurate regime (h_c1 < h < h_c2) in which the modulation of the triplet excitation spectra adapts to the applied field, and a fully spin polarized phase above an upper critical field h_c2. For structurally dimerized chains, the spin gap closes in the incommensurate phase, whereas spin-Peierls chains remain gapped. In the spin liquid regimes, the dominant feature of the triplet spectra is a one-magnon bound state, separated from a continuum of states at higher energies. There are also indications of a singlet bound state above the one-magnon triplet.Comment: RevTex, 10 pages with 8 eps figure

Fractional and Integer Excitations in Quantum Antiferromagnetic Spin 1/2 Ladders

Spectral densities are computed in unprecedented detail for quantum antiferromagnetic spin 1/2 two-leg ladders. These results were obtained due to a major methodical advance achieved by optimally chosen unitary transformations. The approach is based on dressed integer excitations. Considerable weight is found at high energies in the two-particle sector. Precursors of fractional spinon physics occur implying that there is no necessity to resort to fractional excitations in order to describe features at higher energies.Comment: 6 pages, 4 figures included, minor text changes, improved figure

Thermodynamic Properties of the Dimerised and Frustrated S=1/2 Chain

By high temperature series expansion, exact diagonalisation and temperature density-matrix renormalisation the magnetic susceptibility $\chi(T)$ and the specific heat $C(T)$ of dimerised and frustrated $S=1/2$ chains are computed. All three methods yield reliable results, in particular for not too small temperatures or not too small gaps. The series expansion results are provided in the form of polynomials allowing very fast and convenient fits in data analysis using algebraic programmes. We discuss the difficulty to extract more than two coupling constants from the temperature dependence of $\chi(T)$.Comment: 14 pages, 13 figures, 4 table

Single-Particle Dynamics in the Vicinity of the Mott-Hubbard Metal-to-Insulator Transition

The single-particle dynamics close to a metal-to-insulator transition induced by strong repulsive interaction between the electrons is investigated. The system is described by a half-filled Hubbard model which is treated by dynamic mean-field theory evaluated by high-resolution dynamic density-matrix renormalization. We provide theoretical spectra with momentum resolution which facilitate the comparison to photoelectron spectroscopy.Comment: 22 pages, 24 figures, comprehensive high-resolution study of single electron dynamics around a Mott metal-insulator transition, with momentum resolved spectral densities; slight changes due to referees' suggestion

The Structure of Operators in Effective Particle-Conserving Models

For many-particle systems defined on lattices we investigate the global structure of effective Hamiltonians and observables obtained by means of a suitable basis transformation. We study transformations which lead to effective Hamiltonians conserving the number of excitations. The same transformation must be used to obtain effective observables. The analysis of the structure shows that effective operators give rise to a simple and intuitive perspective on the initial problem. The systematic calculation of n-particle irreducible quantities becomes possible constituting a significant progress. Details how to implement the approach perturbatively for a large class of systems are presented.Comment: 12 pages, 1 figure, accepted by J. Phys. A: Math. Ge

Magnetic excitations in the S = 1/2 antiferromagnetic-ferromagnetic chain compound BaCu2V2O8 at zero and finite temperature

Unlike most quantum systems which rapidly become incoherent as temperature is raised, strong correlations persist at elevated temperatures in $S=1/2$ dimer magnets, as revealed by the unusual asymmetric lineshape of their excitations at finite temperatures. Here we quantitatively explore and parameterize the strongly correlated magnetic excitations at finite temperatures using the high resolution inelastic neutron scattering on the model compound BaCu$_2$V$_2$O$_8$ which we show to be an alternating antiferromagnetic-ferromagnetic spin$-1/2$ chain. Comparison to state of the art computational techniques shows excellent agreement over a wide temperature range. Our findings hence demonstrate the possibility to quantitatively predict coherent behavior at elevated temperatures in quantum magnets.Comment: 5 pages + 6 pages supplement; problems with list of references are fixe

Possible Localized Modes in the Uniform Quantum Heisenberg Chains of Sr2CuO3

A model of mobile-bond defects is tentatively proposed to analyze the "anomalies" observed on the NMR spectrum of the quantum Heisenberg chains of Sr2CuO3. A bond-defect is a local change in the exchange coupling. It results in a local alternating magnetization (LAM), which when the defect moves, creates a flipping process of the local field seen by each nuclear spin. At low temperature, when the overlap of the LAM becomes large, the defects form a periodic structure, which extends over almost all the chains. In that regime, the density of bond-defects decreases linearly with T.Comment: 4 pages + 3 figures. To appear in Physical Review

Observation of two-magnon bound states in the two-leg ladders of (Ca,La)14Cu24O41

Phonon-assisted 2-magnon absorption is studied at T=4 K in the spin-1/2 two-leg ladders of Ca_14-x La_x Cu_24 O_41 (x=5 and 4) for polarization of the electrical field parallel to the legs and the rungs, respectively. Two peaks at about 2140 and 2800 1/cm reflect van-Hove singularities in the density of states of the strongly dispersing 2-magnon singlet bound state, and a broad peak at about 4000 1/cm is identified with the 2-magnon continuum. Two different theoretical approaches (Jordan-Wigner fermions and perturbation theory) describe the data very well for J_parallel = 1050 - 1100 1/cm and J_parallel / J_perp = 1 - 1.1. A striking similarity of the high-energy continuum absorption of the ladders and of the undoped high T_c cuprates is observed.Comment: 4 pages, 3 figures, Revte

Enhanced Perturbative Continuous Unitary Transformations

Unitary transformations are an essential tool for the theoretical understanding of many systems by mapping them to simpler effective models. A systematically controlled variant to perform such a mapping is a perturbative continuous unitary transformation (pCUT) among others. So far, this approach required an equidistant unperturbed spectrum. Here, we pursue two goals: First, we extend its applicability to non-equidistant spectra with the particular focus on an efficient derivation of the differential flow equations, which define the enhanced perturbative continuous unitary transformation (epCUT). Second, we show that the numerical integration of the flow equations yields a robust scheme to extract data from the epCUT. The method is illustrated by the perturbation of the harmonic oscillator with a quartic term and of the two-leg spin ladders in the strong-rung-coupling limit for uniform and alternating rung couplings. The latter case provides an example of perturbation around a non-equidistant spectrum.Comment: 27 pages, 18 figures; separated methodological background from introduction, added perturbed harmonic oscillator for additional illustration, added explicit solution of deepCUT equation