One-band tight-binding model parametrization of the high-Tc cuprates including the effect of kz dispersion
Originally published in Physical Review B v.72 (2005): 054519. DOI: 10.1103/PhysRevB.72.054519
We discuss the effects of interlayer hopping and the resulting kz 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 tz in La₂₋ₓSrₓCuO₄ (LSCO) and Nd₂₋ₓCeₓCuO₄ (NCCO) and the added intracell hopping tbi 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 tz and tbi are found generally to be a substantial fraction of the in-plane hopping t, although the value of tz 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.
R. S. Markiewicz, S. Sahrakorpi, M. Lindroos, Hsin Lin, and A. Bansil. "One-band tight-binding model parametrization of the high-Tc cuprates including the effect of kz dispersion" Physics Faculty Publications (2005).
Available at: http://works.bepress.com/rmarkiewicz/24