One-band tight-binding model parametrization of the high-Tc cuprates including the effect of kz dispersion -: art. no. 054519

We discuss the effects of interlayer hopping and the resulting k(z) dispersion in the cuprates within the framework of the one-band tight-binding model Hamiltonian. Specific forms of the dispersion relations in terms of the in-plane hopping parameters t, t('), t('), and t(') and the effective interlayer hopping t(z) in La2-xSrxCuO4 (LSCO) and Nd2-xCexCuO4 (NCCO) and the added intracell hopping t(bi) between the CuO2 bilayers in Bi2Sr2CaCu2O8 (Bi2212) are presented. The values of the bare parameters are obtained via fits with the first-principles local-density-approximation- (LDA-) based band structures in LSCO, NCCO, and Bi2212. The corresponding dressed parameter sets which account for correlation effects beyond the LDA are derived by fitting experimental Fermi surface (FS) maps and dispersions near the Fermi energy in optimally doped and overdoped systems. The interlayer couplings t(z) and t(bi) are found generally to be a substantial fraction of the in-plane hopping t, although the value of t(z) in NCCO is anomalously small, reflecting absence of apical O atoms in the crystal structure. Our results provide some insight into the issues of the determination of doping from experimental FS maps in Bi2212, the role of intercell coupling in c-axis transport, and the possible correlations between the doping dependences of the binding energies of the Van Hove singularities and various prominent features observed in the angle-resolved photoemission and tunneling spectra of the cuprates.