Symmetry of the 3d9 ligand hole induced by doping in YBa2Cu3O7δ

Abstract
Polarized Cu L3-edge x-ray absorption spectra of a single crystal of YBa2 Cu3 O6.8 have been measured to determine the symmetry of the orbital of the electronic holes induced by doping. The states induced by doping in YBa2Cu3O7δ (0<δ<0.5) have been found to be ligand holes L*, giving the 3d9L* configuration, and their weight is correlated with Tc. The polarization dependence shows that the hole L*, induced by doping, is found to be mainly in the Cu-O orbital oriented along the c axis involving the O 2pz orbital of the O(4) atom in the Ba plane and the Cu 3dz2 orbitals. This result indicates the important role of BaO layers and shows that theories of high-Tc superconductivity have to take account of a second band with different symmetry, beyond the single band (the two-dimensional band derived from the Cu 3dx2y2 and O 2px, 2py orbitals in the ab plane of the CuO2 layers) usually considered in models of the electronic structure of high-Tc superconductors.