In order to study the material dependence of the correlation between stripes and dx2-y2-wave superconductivity (SC) among cuprate superconductors, we have performed a variational Monte Carlo simulation on a two-dimensional Hubbard model with first-, second- and third-nearest-neighbor hopping terms (t, t’ and t”, respectively) by using the Gutzwiller-Jastrow-type wave function taking account of three-body correlations on a triangle, which is efficient for frustrated systems. The condensation energies of the vertical stripes and the homogeneous SC were computed as a function of t’/t with a fixed relation t”= –t’/2. We have found that, at the nearly optimal doping with moderately strong on-site Coulomb interaction, the state of maximum condensation energy switches from the vertical stripes to the homogeneous dSC as |t’/t| increases.
The possibility of superconductivity in the ground state of the two-dimensional Hubbard model was investigated by means of the variational Monte Carlo method. With slight hole doping on the 6 ×6 and 10 ×10 lattices, a clear minimum was obtained on the curve of the total energy versus the amplitude of the d -wave gap function for large on-site Coulomb energies. Superconducting pair correlations were observed to be well developed. The-next-nearest-neighbor transfer was found to appreciably affect the minimum depth.
The relationship between crystal structures and superconducting critical temperatures has attracted considerable attention as a clue to designing higher-
Tc superconductors. In particular, the relationship between the number
n of CuO
2 layers in a unit cell of cuprate superconductors and the optimum superconducting transition temperature
Tcopt is intriguing. As experimentally observed in layered cuprates,
Tcopt increases when
n is increased, up to
n=3, and, then, decreases for larger
n. However, the mechanism behind the
n dependence of
Tcopt remains elusive although there have been many studies on the
n dependence. In this paper, we studied a bilayer
t-
t′ Hubbard model to clarify the effects of the adjacent CuO
2 layers on the stability of the superconductivity by using a many-variable variational Monte Carlo method. We calculate the superconducting correlation at long distance and zero temperature, and the amplitude of the superconducting gap functions estimated from the momentum distribution as the observables correlated with
Tcopt. It is found that the in-plane superconducting correlation is not enhanced in comparison with that in the single-layer
t-
t′ Hubbard model. The superconducting correlations of the bilayer Hamiltonian are significantly small in the overdoped region in comparison with those of single-layer Hamiltonian, which is attributed to the van Hove singularity. In addition, we found that the amplitude of the superconducting gap functions is also similar in both the single-layer and bilayer
t-
t′ Hubbard model at the optimal doping. Therefore, we conclude that the adjacent Hubbard layers are not relevant to the enhancement of
Tcopt in the bilayer cuprates. Possible origins of the enhanced
Tcopt other than the adjacent layers are also discussed.
We have studied on the possibility of superconductivity in the two-chain Hubbard model by using the variational Monte Carlo method changing the interchain transfer energy t d . The energy gain per site Δ E in the variational BCS state in reference to the normal state energy, which is nothing but the superconducting condensation energy, was computed. We have fitted Δ E as a function of the inverse of the lattice size by a power-law function and found that in the bulk limit Δ E remains finite in a certain narrow range of t d . Calculated momentum distribution functions reveal that the superconductivity is most stable in the case where the electron distribution in k -space is in a one-band-like situation, on the brink of transition to a two-band-like one. The SDW-type trial wave function was also examined but we did not obtain any energy gain with it in the above-mentioned superconducting region.
A variational Monte Carlo calculation is used for studying the ground state of the two-dimensional Hubbard model, including hopping between both nearest and next-nearest neighbor sites. Superconductivity with d-wave symmetry is found to be restricted to densities where the Fermi surface crosses the magnetic zone boundary. The condensate energy is much larger for hole doping than for electron doping. Superconductivity is kinetic energy driven for hole doping, but potential energy driven for electron doping. Our findings agree surprisingly well with experimental data for layered cuprates, both for electron- and hole-doped materials.
With high-Tc cuprates in mind, properties of correlated dx2-y2-wave superconducting (SC) and antiferromagnetic (AF) states are studied for the Hubbard (t-t'-U) model on square lattices, using a variational Monte Carlo method. We employ simple trial wave functions including only crucial parameters, such as a doublon-holon binding factor indispensable to describe correlated SC and normal states as doped Mott insulators. U/t, t'/t and δ(doping rate) dependence of relevant quantities are systematically calculated. As U/t increases, a sharp crossover of SC properties occurs at U_co/t \sim 10 from a conventional BCS type to a kinetic-energy-driven type for any t'/t. As δdecreases, U_co/t is smoothly connected to the Mott transition point at half filling. For U/t\lsim 5, steady superconductivity corresponding to the cuprates is not found, whereas the d-wave SC correlation function Pd^\infty rapidly increases for U/t\gsim 6 and becomes maximum at U=U_co. Comparing the δdependence of Pd^\infty with experimentally observed dome-shaped Tc and condensation energy, we find that the effective value of
U for the cuprates should be larger than the band width, for which the t-J model is valid. Analyzing the kinetic energy, we reveal that for U>U_co only doped holes (electrons) become charge carriers, which will make a small Fermi surface (hole pocket), but for UU_co is determined by two factors, i.e., the AF spin correlation, which creates singlet pairs (pseudogap), and the charge mobility dominated by Mott physics.