Optical absorption of spin ladders

We present a theory of phonon-assisted optical two-magnon absorption in two-leg spin-ladders. Based on the strong intra-rung-coupling limit we show that collective excitations of total spin S=0, 1 and 2 exist outside of the two-magnon continuum. It is demonstrated that the singlet collective state has a clear signature in the optical spectrum.Comment: 4 pages, 3 figure

Optical Absorption of CuO3_3 antiferromagnetic chains at finite temperatures

We use a high-statistic quantum Monte Carlo and Maximum Entropy regularization method to compute the dynamical energy correlation function (DECF) of the one-dimensional (1D) $S=1/2$ antiferromagnetic Heisenberg model at finite temperatures. We also present a finite temperature analytical ansatz for the DECF which is in very good agreement with the numerical data in all the considered temperature range. From these results, and from a finite temperature generalisation of the mechanism proposed by Lorenzana and Sawatsky [Phys. Rev. Lett. {\bf 74}, 1867 (1995)], we compute the line shape for the optical absorption spectra of multimagnon excitations assisted by phonons for quasi 1D compounds. The line shape has two contributions analogous to the Stokes and anti-Stokes process of Raman scattering. Our low temperature data is in good agreement with optical absorption experiments of CuO$_3$ chains in Sr$_2$CuO$_3$. Our finite temperature results provide a non trivial prediction on the dynamics of the Heisenberg model at finite temperatures that is easy to verify experimentally.Comment: 7 pages, 5 figure

Inhomogeneous Gutzwiller approximation with random phase fluctuations for the Hubbard model

We present a detailed study of the time-dependent Gutzwiller approximation for the Hubbard model. The formalism, labelled GA+RPA, allows us to compute random-phase approximation-like (RPA) fluctuations on top of the Gutzwiller approximation (GA). No restrictions are imposed on the charge and spin configurations which makes the method suitable for the calculation of linear excitations around symmetry-broken solutions. Well-behaved sum rules are obeyed as in the Hartree-Fock (HF) plus RPA approach. Analytical results for a two-site model and numerical results for charge-charge and current-current dynamical correlation functions in one and two dimensions are compared with exact and HF+RPA results, supporting the much better performance of GA+RPA with respect to conventional HF+RPA theory.Comment: 14 pages, 6 figure

Polaron Formation in the Three-Band Peierls-Hubbard Model for Cuprate Superconductors

Exact diagonalization calculations show a continuous transition from delocalized to small polaron behavior as a function of intersite electron-lattice coupling. A transition, found previously at Hartree-Fock level [Yonemitsu et al., Phys. Rev. Lett. {\bf 69}, 965 (1992)], between a magnetic and a non magnetic state does not subsist when fluctuations are included. Local phonon modes become softer close to the polaron and by comparison with optical measurements of doped cuprates we conclude that they are close to the transition region between polaronic and non-polaronic behavior. The barrier to adiabatically move a hole vanishes in that region suggesting large mobilities.Comment: 7 pages + 3 poscript figures, Revtex 3.0, MSC-199

Optical absorption spectra in SrCu_2O_3 two-leg spin ladder

We calculate the phonon-assisted optical-absorption spectra in SrCu_2O_3 two-leg spin-ladder systems. The results for two models proposed for SrCu_2O_3 are compared. In the model including the effects of a cyclic four-spin interaction, the shoulder structure appears at 978 cm^{-1} and the peak appears at 1975 cm^{-1} in the spectrum for polarization of the electric field parallel to the legs. In the other model which describes a pure two-leg ladder, the peak appears around the lower edge of the spectrum at 1344 cm^{-1}. The feature can be effective in determining the proper model for SrCu_2O_3.Comment: 5 pages, 5 figures, to appear in PRB vol. 67 (2003

Time-dependent Gutzwiller approximation for the Hubbard model

We develop a time-dependent Gutzwiller approximation (GA) for the Hubbard model analogous to the time-dependent Hartree-Fock (HF) method. The formalism incorporates ground state correlations of the random phase approximation (RPA) type beyond the GA. Static quantities like ground state energy and double occupancy are in excellent agreement with exact results in one dimension up to moderate coupling and in two dimensions for all couplings. We find a substantial improvement over traditional GA and HF+RPA treatments. Dynamical correlation functions can be easily computed and are also substantially better than HF+RPA ones and obey well behaved sum rules.Comment: 4 pages, 2 figure

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

Phase separation in a lattice model of a superconductor with pair hopping

We have studied the extended Hubbard model with pair hopping in the atomic limit for arbitrary electron density and chemical potential. The Hamiltonian considered consists of (i) the effective on-site interaction U and (ii) the intersite charge exchange interactions I, determining the hopping of electron pairs between nearest-neighbour sites. The model can be treated as a simple effective model of a superconductor with very short coherence length in which electrons are localized and only electron pairs have possibility of transferring. The phase diagrams and thermodynamic properties of this model have been determined within the variational approach, which treats the on-site interaction term exactly and the intersite interactions within the mean-field approximation. We have also obtained rigorous results for a linear chain (d=1) in the ground state. Moreover, at T=0 some results derived within the random phase approximation (and the spin-wave approximation) for d=2 and d=3 lattices and within the low density expansions for d=3 lattices are presented. Our investigation of the general case (as a function of the electron concentration and as a function of the chemical potential) shows that, depending on the values of interaction parameters, the system can exhibit not only the homogeneous phases: superconducting (SS) and nonordered (NO), but also the phase separated states (PS: SS-NO). The system considered exhibits interesting multicritical behaviour including tricritical points.Comment: 15 pages, 9 figures; pdf-ReVTeX, final version, corrected typos; submitted to Journal of Physics: Condensed Matte

Stability of metallic stripes in the extended one-band Hubbard model

Based on an unrestricted Gutzwiller approximation (GA) we investigate the stripe orientation and periodicity in an extended one-band Hubbard model. A negative ratio between next-nearest and nearest neighbor hopping t'/t, as appropriate for cuprates, favors partially filled (metallic) stripes for both vertical and diagonal configurations. At around optimal doping diagonal stripes, site centered (SC) and bond centered (BC) vertical stripes become degenerate suggesting strong lateral and orientational fluctuations. We find that within the GA the resulting phase diagram is in agreement with experiment whereas it is not in the Hartree-Fock approximation due to a strong overestimation of the stripe filling. Results are in agreement with previous calculations within the three-band Hubbard model but with the role of SC and BC stripes interchanged.Comment: 10 pages, 8 figure

Phonon Assisted Multimagnon Optical Absorption and Long Lived Two-Magnon States in Undoped Lamellar Copper Oxides

We calculate the effective charge for multimagnon infrared (IR) absorption assisted by phonons in the parent insulating compounds of cuprate superconductors and the spectra for two-magnon absorption using interacting spin-wave theory. Recent measured bands in the mid IR [Perkins et al. Phys. Rev. Lett. {\bf 71} 1621 (1993)] are interpreted as involving one phonon plus a two-magnon virtual bound state, and one phonon plus higher multimagnon absorption processes. The virtual bound state consists of a narrow resonance occurring when the magnon pair has total momentum close to $(\pi,0)$.Comment: 4 page