Here we report results of a density-matrix-renormalization-group calculation of the charge, spin, and pairing properties of a two-leg CuO Hubbard ladder. The outer oxygen atoms as well as the rung and leg oxygen atoms are included along with near-neighbor and oxygen-hopping matrix elements. This model allows us to study the effects of hole and electron doping on a system that is a charge-transfer insulator at a filling of one hole per Cu and exhibits power law, d-wave-like pairing correlations when doped. In particular, we focus on the differences between doping with holes and with electrons.
We study the impact of next-nearest-neighbor (NNN) hopping on the low-energy collective excitations of strongly correlated doped antiferromagnetic cuprate spin chains. Specifically, we use exact diagonalization and the density matrix renormalization group method to study the single-particle spectral function, the dynamical spin and charge structure factors, and the Cu
L-edge resonant inelastic x-ray scattering (RIXS) intensity of the doped $t\text{\ensuremath{-}}t\ensuremath{'}\text{\ensuremath{-}}J$ model for a set of $t\ensuremath{'}$ values. We find evidence that the spin and charge degrees of freedom of the doped holes are not strictly separated anymore as $|t\ensuremath{'}|$ increases and identify the consequences of this in the dynamical response functions. The inclusion of NNN hopping couples the spinon and holon excitations, resulting in the formation of a spin polaron, where a ferromagnetic spin-polarization cloud dresses the doped carrier. The spin polaron manifests itself as additional spectral weight in the dynamical correlation functions, which appear simultaneously in the spin- and charge-sensitive channels. We also demonstrate that RIXS can provide a unique view of the spin polaron, due to its sensitivity to both the spin and charge degrees of freedom.
Quantum Monte Carlo (QMC) and maximum-entropy techniques are used to study the spectral function $A(\mathbf{p},\ensuremath{\omega})$ of the one-band Hubbard model with strong coupling including a next-nearest-neighbor electronic hopping with amplitude ${t}^{\ensuremath{'}}/t=\ensuremath{-}0.35$. These values of parameters are chosen to improve the comparison of the Hubbard model with angle-resolved photoemission (ARPES) data for
Sr2CuO2Cl2. A narrow quasiparticle (qp) band is observed in the QMC analysis at the temperature of the simulation
T=t/3, both at and away from half-filling. Such a narrow band produces a large accumulation of weight in the density of states at the top of the valence band. As the electronic density
〈n〉 decreases further away from half-filling, the chemical potential travels through this energy window with a large number of states, and by $〈n〉\ensuremath{\sim}0.70$ it has crossed it entirely. The region near momentum $(0,\ensuremath{\pi})$ and $(\ensuremath{\pi},0)$ in the spectral function is more sensitive to doping than momenta along the diagonal from
(0,0) to $(\ensuremath{\pi},\ensuremath{\pi})$. The evolution with hole density of the quasiparticle dispersion contains some of the features observed in recent ARPES data in the underdoped regime. For sufficiently large hole densities the ``flat'' bands at $(\ensuremath{\pi},0)$ cross the Fermi energy, a prediction that could be tested with ARPES techniques applied to overdoped cuprates. The population of the qp band introduces a hidden density in the system which produces interesting consequences when the quasiparticles are assumed to interact through antiferromagnetic fluctuations and studied with the BCS gap-equation formalism. In particular, a region of extended
s-wave character is found to compete with the
d wave in the overdoped regime, i.e., when the chemical potential has almost entirely crossed the qp band as
〈n〉 is reduced. The present study also shows that previous ``real-space'' pairing theories for the cuprates, such as the antiferromagnetic Van Hove scenario, originally constructed based on information gathered at half-filling, do not change their predictions if hole dispersions resembling noninteracting electrons with renormalized parameters are used.
We study, using a perturbative renormalization group technique, the phase diagrams of bond-aligned and diagonal Hubbard ladders defined as sections of a square lattice with nearest-neighbor and next-nearest-neighbor hopping. We find that for not too large hole doping and small next-nearest-neighbor hopping, the bond-aligned systems exhibit a fully spin-gapped phase while the diagonal systems remain gapless. Increasing the next-nearest-neighbor hopping typically leads to a decrease of the gap in the bond-aligned ladders, and to a transition into a gapped phase in the diagonal ladders. Embedding the ladders in an antiferromagnetic environment can lead to a reduction in the extent of the gapped phases. These findings may suggest a relation between the orientation of hole-rich stripes and superconductivity as observed in ${\mathrm{La}}_{2\ensuremath{-}x}{\mathrm{Sr}}_{x}\mathrm{Cu}{\mathrm{O}}_{4}$.
The effective two-band $t\ensuremath{-}J$ Hamiltonian for holes in Cu-O planes of cuprates is obtained from the three-band Hubbard Hamiltonian. In this model a doped oxygen hole together with two neighboring copper holes is treated as a composite spin-
21 three-sites particle. The model is studied by exact diagonalization in a
Cu16O32 square cluster. Both binding energy and hole-hole correlation function indicate that two holes bind together for
J/t>0.11 and are predominantly located on the next-nearest oxygen sites in the same Cu-O chain. Electron-phonon interaction is studied in the adiabatic phonons approximation. Copper (\ensuremath{\pi},0) ``half-breathing'' mode is shown to couple strongly to doped holes and increase the hole-hole correlation as well as the binding energy. These results are compared with experimental data.
Comparing experimental data for high-
Tc cuprate superconductors with numerical results for electronic models, it is becoming apparent that a hopping along the plaquette diagonals has to be included to obtain quantitative agreement. However, the values for ${\mathit{t}}^{\ensuremath{'}}$ discussed in the literature were obtained comparing theoretical results in the weak-coupling limit with photoemission data and band-structure calculations. The goal of this paper is to study how ${\mathit{t}}^{\ensuremath{'}}$ gets renormalized as the interaction between electrons, U, increases. For this purpose, the effect of adding a bare diagonal hopping ${\mathit{t}}^{\ensuremath{'}}$ to the two-dimensional Hubbard model Hamiltonian is investigated using numerical techniques. Spin-spin correlations, n(k), 〈n〉 vs \ensuremath{\mu}, and local magnetic moments are studied for several values of U/t and the electronic density. The spectral function A(k,\ensuremath{\omega}) is also discussed. We introduce a criterion to determine probable locations of Fermi surfaces at zero temperature. In general, we conclude that it is very dangerous to extract a bare parameter of the Hamiltonian (${\mathit{t}}^{\ensuremath{'}}$) from photoemission spectroscopy data where renormalized parameters play the important role.