Suppressed superexchange interactions in the cuprates by bond-stretching oxygen phonons

Li, Shaozhi; Johnston, Steven

doi:10.1103/physrevb.108.l201113

Title: Suppressed superexchange interactions in the cuprates by bond-stretching oxygen phonons

Journal Article · 13 November 2023 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.108.l201113 · OSTI ID:2216886

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^[2]

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Clemson University, SC (United States); University of Tennessee, Knoxville
University of Tennessee, Knoxville, TN (United States)

We study a multiorbital Hubbard–Su-Schrieffer-Heeger model for the one-dimensional (1D) corner-shared cuprates in the adiabatic and nonadiabatic limits using exact diagonalization and determinant quantum Monte Carlo. At half filling and in the adiabatic limit, lattice dimerization can be achieved only over a narrow range of couplings slightly below a critical coupling g_c. Beyond this value, the sign of the effective hopping changes, and the lattice becomes unstable. Strong lattice fluctuations replace the dimerization state in the nonadiabatic case. We also examine the model's temperature-dependent uniform and dynamical magnetic susceptibilities and compare them to the results of an effective spin-1/2 Heisenberg model. In doing so, we demonstrate that lattice fluctuations induced by the e-ph interaction suppress the effective superexchange interaction when g < g_c. Furthermore, our results elucidate the effect of bond-stretching phonons in the parent cuprate compounds in general and are particularly relevant to 1D cuprates, where strong e-ph interactions have recently been inferred.

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Research Organization:: University of Tennessee, Knoxville, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: SC0022311; AC05-00OR22725

OSTI ID:: 2216886

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 20 Vol. 108; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Suppressed superexchange interactions in the cuprates by bond-stretching oxygen phonons

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