Electronic structure of theCu3O4plane of

Abstract

General rightsIt is not permitted to download or to forward/distribute the text or part of it without the consent of the author(s) and/or copyright holder(s), other than for strictly personal, individual use, unless the work is under an open content license (like Creative Commons). Disclaimer/Complaints regulationsIf you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library: http://uba.uva.nl/en/contact, or a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible. We present a detailed joint experimental and theoretical investigation of the valence band electronic structure of single crystals of the model cuprate Ba 2 Cu 3 O 4 Cl 2 . This oxychloride system possesses a Cu 3 O 4 plane which can be regarded as a superposition of two subsystems: a Cu A O 2 cuprate plane and an extra Cu B site, and thus represents an ideal trial system for assessing the impact of deviations from the CuO 2 plane stoichiometry upon the electronic structure in cuprate materials. From polarization-dependent, k-resolved photoemission measurements the dispersion relations and symmetry of a number of the observed valence band features are determined and compared with the results of band structure calculations carried out within the LSDAϩU formalism, which include a detailed analysis of the character and symmetry of the individual bands. Upon electron removal, the extra copper site makes its presence felt via the formation of a second Zhang-Rice singlet located on the Cu B subsystem, in addition to that originating from the Cu A O 2 subsystem. The main valence band edge at ϳ2 eV binding energy is shown to be mainly due to bands involving combinations of O 2p x,y orbitals, some of which exhibit essentially pure O 2 p character. These low-lying oxygen bands are different in origin from the nonmixing O 2 p states observed, for example, at ( , ) in Sr 2 CuO 2 Cl 2 , as the orbital combination responsible for the latter is involved in Ba 2 Cu 3 O 4 Cl 2 in the formation of the Zhang-Rice singlet state on the Cu B sublattice. ͓S0163-1829͑98͒00717-6͔

Universality of the electronic structure from a half-filledCuO2plane

“…10 They are also consistent with earlier reports on the isostructural compound Ba 2 Cu 3 O 4 Cl 2 taken at a higher photon energy. 24,25 We confirm the observation that the spectral features about (π/2, π/2) have a remarkable resemblance to those in Sr…”

“…10 They are also consistent with earlier reports on the isostructural compound Ba 2 Cu 3 O 4 Cl 2 taken at a higher photon energy. 24,25 We confirm the observation that the spectral features about (π/2, π/2) have a remarkable resemblance to those in Sr 2 CuO 2 Cl 2 . It is astounding that the properties of the Zhang-Rice singlet seen in ACOC are almost undisturbed by the drastic change to the CuO 2 lattice in the case of Sr 2 Cu 3 O 4 Cl 2 .…”

An Angle Resolved Photoemission Study of a Mott Insulator and Its Evolution to a High Temperature Superconductor

“…Cu 3 O 4 Cl 2 taken at a different photon energy [115,116]. Although, here we neither confirm nor deny their interpretation for the existence of two Zhang-Rice singlets on differing sublattices.…”

Neutron scattering study ofSr2Cu3O4Kim1, Birgeneau2, Chou3 et al. 2001Phys. Rev. B389422View full textAdd to dashboardCite

“…The dispersion of a single hole in both antiferromagnetic and paramagnetic spin background was measured simultaneously in the same Cu 3 O 4 plane by ARPES experiments on 2342. [17][18][19] One of the most intriguing features in earlier studies is the weak ferromagnetic moment that appears below T N,I . 13,14,20,21 We have recently reported that anisotropic bond-dependent interactions such as pseudodipolar couplings can in fact explain such weak ferromagnetic moments.…”