Dispersion of a Hole in a Two-DimensionalCu3O4Plane: A Tale of Two Singlets

Abstract
Polarization-dependent angle-resolved photoemission spectroscopy measurements of Ba2Cu3O4Cl2 indicate the presence of two different Zhang-Rice singlets in the two-dimensional Cu3O4 plane of this insulating copper oxychloride. With the aid of model calculations, we show that one singlet is moving in the antiferromagnetically ordered cupratelike CuAO2 subsystem and the other on the effectively paramagnetic sublattice formed by the extra CuB atoms. The dispersion of the former is thus determined by the superexchange integral JA, and that of the latter by the hopping integral tB. Consequently, as far as the role of the magnetic background is concerned, the dispersion relation of a single hole in this system represents simultaneously both the low and very high doping limits of a cuprate plane in a single structure.