One hole in a three-band model of a high-temperature superconductor

Abstract

We study a three-band effective model of a CuO2 plane for the simple case of a single hole, with the aim of investigating the nature of the ground state stabilized by the motion of a single hole on the CuO2 lattice. Our model is derived from, and retains the essential physics of the Anderson lattice model, but is more amenable to further investigation by virtue of the lifting of the spin degeneracy on the copper sites provided by perturbation theory. We use the Lanczos algorithm to numerically solve a series of finite systems which tend to the CuO2 plane in the thermodynamic limit. Although we only study finite systems, the largest systems are sufficiently large to demonstrate behaviour that is independent of the boundary conditions, and is hence representative of the behaviour in the thermodynamic limit. In order to gain a good understanding of the competing energy scales, we consider only a single hole at T = 0. Our calculations predict that the ground state of the three-band model for a single hole is strongly quantum, dominated by short-range dimer correlations, reminiscent of a resonating valence bond state. There is no evidence for a discontinuity in the occupation number, indicating that the system is not a Fermi liquid. These predictions are in contrast to those of the t–J model, where the hole motion alone predicts Nagaoka ferromagnetism for the planar system, and one must include magnetic exchange terms in order to obtain the experimentally observed low-spin ground state.