Effect of the Cu-Cu superexchange on the stability of Zhang-Rice singlets

C. D. Batista and A. A. Aligia
Phys. Rev. B 49, 16048 – Published 1 June 1994
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Abstract

We solve exactly a Cu4O8 cluster with four and five holes, for parameters for which the low-energy physics of the three-band Hubbard model can be mapped exactly to a t-J model with J=0. When a Cu-Cu superexchange J is included, the mapping is no more exact. We investigate the quality of the mapping and the amount of nonorthogonal Zhang-Rice singlets of each low-energy eigenstate as a function of J. We also explain briefly how to calculate a property of the three-band model (such as the Cu and O photoemission intensity) using the t-J model.

  • Received 10 December 1993

DOI:https://doi.org/10.1103/PhysRevB.49.16048

©1994 American Physical Society

Authors & Affiliations

C. D. Batista and A. A. Aligia

  • Comisión Nacional de Energía Atómica, Centro Atómico Bariloche and Instituto Balseiro, 8400 S.C. de Bariloche, Río Negro, Argentina

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Vol. 49, Iss. 22 — 1 June 1994

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