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Abstract
A new class of variational functions is proposed to study the correlations and charge fluctuations in multicomponent systems. It is applied to the Emery model of the CuO2 plane of a high-temperature superconductor. A correlated state is constructed by making use of the local unitary transformations acting on the uncorrelated single-band Hartree-Fock function. The transformations perform the p-d hybridization depending on the number of holes on the clusters, each containing one d orbital and the appropriate Wannier combination of p orbitals. The non-perturbative single-band Hamiltonian is obtained. It is shown that the band approach to treating the transformed Hamiltonian is quite adequate. In this way the correlated paramagnetic state with large intercluster fluctuations and the antiferromagnetic (AF) state have been obtained. The hole localization on clusters in the AF state and the decay of AF ordering upon doping is traced.
Published Version
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