Me. Simon et al., OPTICAL-PROPERTIES OF AN EFFECTIVE ONE-BAND HUBBARD-MODEL FOR THE CUPRATES, Physical review. B, Condensed matter, 56(9), 1997, pp. 5637-5647
We study the Cu and O spectral density of states and the optical condu
ctivity of CuO2 planes using an effective generalized one-band Hubbard
model derived from the extended three-band Hubbard model. We solve ex
actly a square cluster of 10 unit cells and average the results over a
ll possible boundary conditions, which leads to smooth functions of fr
equency. Upon doping, the Fermi energy jumps to Zhang-Rice states whic
h are connected to the rest of the valence band (in contrast to an iso
lated band in the middle of the gap). The transfer of spectral weight
depends on the parameters of the original three-band model not only th
rough the one-band effective parameters but also through the relevant
matrix elements. We discuss the evolution of the gap upon doping. The
optical conductivity of the doped system shows a mid-infrared peak due
to intraband transitions, a pseudogap, and a high-frequency part rela
ted to interband transitions. Its shape and integrated weight up to a
given frequency (including the Drude weight) agree qualitatively with
experiments in the cuprates for low to moderate doping levels, but sig
nificant deviations exist for doping x>0.3.