Spectral properties of the 2D Holstein t-J model

Employing the Lanczos algorithm in combination with a kernel polynomial moment expansion (KPM) and the maximum entropy method (MEM), we show a way of calculating charge and spin excitations in the Holstein t-J model, including the full quantum nature of phonons. To analyze polaron band formation we evaluate the hole spectral function for a wide range of electron-phonon coupling strengths. For the first time, we present results for the optical conductivity of the 2D Holstein t-J model.Comment: 2 pages, Latex. Submitted to Physica C, Proc. Int. Conf. on M2HTSC

Polaronic effects in strongly coupled electron-phonon systems: Exact diagonalization results for the 2D Holstein t-J model

Ground-state and dynamical properties of the 2D Holstein t-J model are examined by means of direct Lanczos diagonalization, using a truncation method of the phononic Hilbert space. The single-hole spectral function shows the formation of a narrow hole-polaron band as the electron-phonon coupling increases, where the polaronic band collapse is favoured by strong Coulomb correlations. In the two-hole sector, the hole-hole correlations unambiguously indicate the existence of inter-site bipolaronic states. At quarter-filling, a polaronic superlattice is formed in the adiabatic strong-coupling regime.Comment: 3 pages, LaTeX, 6 Postscript figures, Proc. Int. Conf. on Strongly Correlated Electron Systems, Zuerich, August 1996, accepted for publication in Physica

Density-Matrix Algorithm for Phonon Hilbert Space Reduction in the Numerical Diagonalization of Quantum Many-Body Systems

Combining density-matrix and Lanczos algorithms we propose a new optimized phonon approach for finite-cluster diagonalizations of interacting electron-phonon systems. To illustrate the efficiency and reliability of our method, we investigate the problem of bipolaron band formation in the extended Holstein Hubbard model.Comment: 14 pages, 6 figures, Workshop on High Performance Computing in Science and Engineering, Stuttgart 200

Considerations on the quantum double-exchange Hamiltonian

Schwinger bosons allow for an advantageous representation of quantum double-exchange. We review this subject, comment on previous results, and address the transition to the semiclassical limit. We derive an effective fermionic Hamiltonian for the spin-dependent hopping of holes interacting with a background of local spins, which is used in a related publication within a two-phase description of colossal magnetoresistant manganites.Comment: 7 pages, 3 figure

Magnetic and lattice polaron in Holstein-t-J model

We investigate the interplay between the formation of lattice and magnetic polaron in the case of a single hole in the antiferromagnetic background. We present an exact analytical solution of the Holstein-t-J model in infinite dimensions. Ground state energy, electron-lattice correlation function, spin bag dimension as well as spectral properties are calculated. The magnetic and hole-lattice correlations sustain each other, i.e. the presence of antiferromagnetic correlations favors the formation of the lattice polaron at lower value of the electron-phonon coupling while the polaronic effect contributes to reduce the number of spin defects in the antiferromagnetic background. The crossover towards a spin-lattice small polaron region of the phase diagram becomes a discontinuous transition in the adiabatic limit.Comment: revtex, 8 eps figures included NEW version. Appendix with a full proof include

Quantum lattice dynamical effects on the single-particle excitations in 1D Mott and Peierls insulators

As a generic model describing quasi-one-dimensional Mott and Peierls insulators, we investigate the Holstein-Hubbard model for half-filled bands using numerical techniques. Combining Lanczos diagonalization with Chebyshev moment expansion we calculate exactly the photoemission and inverse photoemission spectra and use these to establish the phase diagram of the model. While polaronic features emerge only at strong electron-phonon couplings, pronounced phonon signatures, such as multi-quanta band states, can be found in the Mott insulating regime as well. In order to corroborate the Mott to Peierls transition scenario, we determine the spin and charge excitation gaps by a finite-size scaling analysis based on density-matrix renormalization group calculations.Comment: 5 pages, 5 figure

Peierls Dimerization with Non-Adiabatic Spin-Phonon Coupling

We study the magnetic properties of a frustrated Heisenberg spin chain with a dynamic spin-phonon interaction. By Lanczos diagonalization, preserving the full lattice dynamics, we explore the non-adiabatic regime with phonon frequencies comparable to the exchange coupling energy which is e.g. the relevant limit for the spin-Peierls compound $CuGeO_3$. When compared to the static limit of an alternating spin chain the magnetic properties are strongly renormalized due to the coupled dynamics of spin and lattice degrees of freedom. The magnitude of the spin triplet excitation gap changes from a strong to a weak dimerization dependence with increasing phonon frequencies implying the necessity to include dynamic effects in an attempt for a quantitative description of the spin-Peierls state.Comment: 4 pages, 5 figure

Berry phases and pairing symmetry in Holstein-Hubbard polaron systems

We study the tunneling dynamics of dopant-induced hole polarons which are self-localized by electron-phonon coupling in a two-dimensional antiferro- magnet. Our treatment is based on a path integral formulation of the adia- batic approximation, combined with many-body tight-binding, instanton, con- strained lattice dynamics, and many-body exact diagonalization techniques. Our results are mainly based on the Holstein-$tJ$ and, for comparison, on the Holstein-Hubbard model. We also study effects of 2nd neighbor hopping and long-range electron-electron Coulomb repulsion. The polaron tunneling dynamics is mapped onto an effective low-energy Hamiltonian which takes the form of a fermion tight-binding model with occupancy dependent, predominant- ly 2nd and 3rd neighbor tunneling matrix elements, excluded double occupan- cy, and an effective intersite charge interactions. Antiferromagnetic spin correlations in the original many-electron Hamiltonian are reflected by an attractive contribution to the 1st neighbor charge interaction and by Berry phase factors which determine the signs of effective polaron tunneling ma- trix elements. In the two-polaron case, these phase factors lead to polaron pair wave functions of either $d_{x^2-y^2}$-wave symmetry or p-wave symme- try with zero and nonzero total pair momentum, respectively. Implications for the doping dependent isotope effect, pseudo-gap and Tc of a superconduc- ting polaron pair condensate are discussed/compared to observed in cuprates.Comment: 23 pages, revtex, 13 ps figure

Optical absorption and single-particle excitations in the 2D Holstein t-J model

To discuss the interplay of electronic and lattice degrees of freedom in systems with strong Coulomb correlations we have performed an extensive numerical study of the two-dimensional Holstein t-J model. The model describes the interaction of holes, doped in a quantum antiferromagnet, with a dispersionsless optical phonon mode. We apply finite-lattice Lanczos diagonalization, combined with a well-controlled phonon Hilbert space truncation, to the Hamiltonian. The focus is on the dynamical properties. In particular we have evaluated the single-particle spectral function and the optical conductivity for characteristic hole-phonon couplings, spin exchange interactions and phonon frequencies. The results are used to analyze the formation of hole polarons in great detail. Links with experiments on layered perovskites are made. Supplementary we compare the Chebyshev recursion and maximum entropy algorithms, used for calculating spectral functions, with standard Lanczos methods.Comment: 32 pages, 12 figures, submitted to Phys. Rev.