Fluctuating charge-density-wave correlations in the three-band Hubbard model

Peizhi Mai, Benjamin Cohen-Stead, Thomas A. Maier, Steven Johnston

Research output: Contribution to journalArticlepeer-review

Abstract

The high-temperature superconducting cuprates host unidirectional spin- and charge-density-wave orders that can intertwine with superconductivity in nontrivial ways. While the charge components of these stripes have now been observed in nearly all cuprate families, their detailed evolution with doping varies across different materials and at high and low temperatures. We address this problem using nonperturbative determinant quantum Monte Carlo calculations for the three-band Hubbard model. Using an efficient implementation, we can resolve the model's fluctuating spin and charge modulations and map their evolution as a function of the charge transfer energy and doping. We find that the incommensurability of the charge modulations is decoupled from the spin modulations and decreases with hole doping, consistent with experimental measurements at high temperatures. These findings support the proposal that the high-temperature charge correlations are distinct from the intertwined stripe order observed at low-temperature and in the single-band Hubbard model.

Original languageEnglish
Article numbere2408717121
JournalProceedings of the National Academy of Sciences of the United States of America
Volume121
Issue number50
DOIs
StatePublished - Dec 10 2024

Funding

We thank T.P. Devereaux, E. Fradkin, and S. Kivelson for useful discussions. This work was primarily supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, under Award No. DE-SC0022311. This research used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract No. DE-AC05-00OR22725. Additional calculations performed during the review process used Expanse at San Diego Supercomputer Center through allocation PHY240202 from the Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support program, which is supported by NSF Grants #2138259, #2138286, #2138307, #2137603, and #2138296.

FundersFunder number
U.S. Department of Energy
Basic Energy SciencesDE-SC0022311
National Science Foundation2138286, 2138296, 2137603, 2138307, 2138259
Office of SciencePHY240202, DE-AC05-00OR22725

    Keywords

    • cuprates
    • Hubbard model
    • quantum Monte Carlo
    • stripes

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