title: Non-Zhang-Rice Singlet Character of the First Ionization State of T-CuO.
abstract: We argue that tetragonal CuO (T-CuO) has the potential to finally settle long-standing modeling issues for cuprate physics. We compare the one-hole quasiparticle (qp) dispersion of T-CuO to that of cuprates, in the framework of the strongly correlated (U_{dd}→∞) limit of the three-band Emery model. Unlike in CuO_{2}, magnetic frustration in T-CuO breaks the C_{4} rotational symmetry and leads to strong deviations from the Zhang-Rice singlet picture in parts of the reciprocal space. Our results are consistent with angle-resolved photoemission spectroscopy data but in sharp contradiction to those of a one-band model previously suggested for them. These differences identify T-CuO as an ideal material to test a variety of scenarios proposed for explaining cuprate phenomenology.
authors.affiliation: Department of Physics and Astronomy, University of British Columbia, Vancouver, British Columbia, Canada, V6T 1Z1.
authors.forename: Clemens P J
authors.initials: CP
authors.lastname: Adolphs
authors.affiliation: Institute of Condensed Matter Physics, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne, Switzerland.|Advanced Light Source, Berkeley, California 94720, USA.
authors.forename: Simon
authors.initials: S
authors.lastname: Moser
authors.affiliation: Department of Physics and Astronomy, University of British Columbia, Vancouver, British Columbia, Canada, V6T 1Z1.|Quantum Matter Institute, University of British Columbia, Vancouver, British Columbia, Canada, V6T 1Z4.
authors.forename: George A
authors.initials: GA
authors.lastname: Sawatzky
authors.affiliation: Department of Physics and Astronomy, University of British Columbia, Vancouver, British Columbia, Canada, V6T 1Z1.|Quantum Matter Institute, University of British Columbia, Vancouver, British Columbia, Canada, V6T 1Z4.
authors.forename: Mona
authors.initials: M
authors.lastname: Berciu