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A strong anisotropic distribution of the holes in Ni 3d and O 2p orbitals isobserved in the polarization dependent O1s and Ni2p3/2 x-ray absorptionspectroscopy of the linear-chain nickelate Y1-xCaxBaNiO5 (x = 0, 0.05, 0.1,0.2), which demonstrates the one-dimensional nature of the electronic state inthese compounds. Furthermore, the additional holes introduced by Ca-dopingoccupy both O 2p and Ni 3d orbitals along the NiO5 chains. By comparing theexperimental Ni 2p3/2 absorption spectra of Y1-xCaxBaNiO5 to those from chargetransfer multiplet calculations we can derive the orbital character of theadditional holes to be of ca. 60% O2p and ca. 40% Ni 3d.

The electronic structure of the doped one-dimensional transition metal oxide Y 2 - x Ca x BaNiO 5 studied using X-ray absorption