2016
DOI: 10.1103/physrevlett.116.087002
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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 modelling 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 CuO2, magnetic frustration in T-CuO breaks the C4 rotational symmetry and leads to strong deviations from the Zhang-Rice singlet picture in parts of the reciprocal space. Our results are consistent with a… Show more

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Cited by 27 publications
(18 citation statements)
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“…The square structure and the in-plane lattice constant are consistent with those of the CuO 2 plane in bulk Bi-2212. For rocksalt-structured tetragonal CuO (T-CuO) [5][6][7], a √ 2× √ 2 surface reconstruction might blur half Cu ions and lead to the same lattice constant. However, the identification of the films as CuO 2 is sustained by a large separation of 2.35 eV between the Fermi level (E F ) and the valence band of T-CuO [6], while the corresponding value here is only 1.40 eV ( Fig.…”
Section: Methodsmentioning
confidence: 99%
“…The square structure and the in-plane lattice constant are consistent with those of the CuO 2 plane in bulk Bi-2212. For rocksalt-structured tetragonal CuO (T-CuO) [5][6][7], a √ 2× √ 2 surface reconstruction might blur half Cu ions and lead to the same lattice constant. However, the identification of the films as CuO 2 is sustained by a large separation of 2.35 eV between the Fermi level (E F ) and the valence band of T-CuO [6], while the corresponding value here is only 1.40 eV ( Fig.…”
Section: Methodsmentioning
confidence: 99%
“…Intriguingly, the CuO 2 planes responsible for the exotic properties of high-T c cuprate superconductors have the Lieb lattice structure. Thus a Hubbard model on the Lieb lattice [34][35][36] is a natural, and possibly indispensable [37][38][39], extension of the single-band Hubbard model more commonly used [40].…”
mentioning
confidence: 99%
“…For example, in the holedoped case, the spins giving rise to the spin-fluctuation interaction are located on the Cu sublattice, while the paired holes are moving on the O p x/y sublattice. This situation can produce a different physical picture than if the interaction and the pairs both originate from the same orbital on the same lattice [9][10][11][12][13] . And indeed, studies have observed two-particle behavior in a two sublattice system that is not observed in a one-lattice system 14 .…”
Section: Introductionmentioning
confidence: 99%