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  4. Non-Zhang-Rice Singlet Character of the First Ionization State of T-CuO
 
research article

Non-Zhang-Rice Singlet Character of the First Ionization State of T-CuO

Adolphs, Clemens P. J.
•
Moser, Simon  
•
Sawatzky, George A.
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2016
Physical Review Letters

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 -> infinity) limit of the three-band Emery model. Unlike in CuO2, 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.

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Type
research article
DOI
10.1103/PhysRevLett.116.087002
Web of Science ID

WOS:000370817400018

Author(s)
Adolphs, Clemens P. J.
Moser, Simon  
Sawatzky, George A.
Berciu, Mona
Date Issued

2016

Publisher

Amer Physical Soc

Published in
Physical Review Letters
Volume

116

Issue

8

Article Number

087002

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
ICMP  
Available on Infoscience
April 1, 2016
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/125323
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