C. Lubritto et al., THE ROLE OF APICAL OXYGEN IN THE HIGH-TEMPERATURE SUPERCONDUCTORS, Journal of physics. Condensed matter, 8(50), 1996, pp. 11053-11068
We report finite-cluster diagonalizations which clarify the role of ap
ical oxygen orbitals and of the copper d(3z2-r2) orbitals in the groun
d-state electronic properties of high-temperature superconductors. The
hole density distribution and spin-spin correlation functions are ana
lysed as functions of interoxygen hopping and other parameters. The ma
in conclusion is that for universally accepted parameters for CuO2 pla
nes, small levels of doping and no phonons, the three-band Hamiltonian
suffices to describe the properties of the ground state and the inver
se photoemission.