Quantitative assessment of the universal thermopower in the Hubbard model

Wang, Wen O.; Ding, Jixun K.; Huang, Edwin W.; Moritz, Brian; Devereaux, Thomas P.

doi:10.1038/s41467-023-42772-8

Title: Quantitative assessment of the universal thermopower in the Hubbard model

Journal Article · 03 November 2023 · Nature Communications

DOI: https://doi.org/10.1038/s41467-023-42772-8 · OSTI ID:2204549

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Stanford University, CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)
University of Illinois at Urbana-Champaign, IL (United States); University of Notre Dame, IN (United States)
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Stanford University, CA (United States)

As primarily an electronic observable, the room-temperature thermopower S in cuprates provides possibilities for a quantitative assessment of the Hubbard model. Using determinant quantum Monte Carlo, we demonstrate agreement between Hubbard model calculations and experimentally measured room-temperature S across multiple cuprate families, both qualitatively in terms of the doping dependence and quantitatively in terms of magnitude. We observe an upturn in S with decreasing temperatures, which possesses a slope comparable to that observed experimentally in cuprates. From our calculations, the doping at which S changes sign occurs in close proximity to a vanishing temperature dependence of the chemical potential at fixed density. Our results emphasize the importance of interaction effects in the systematic assessment of the thermopower S in cuprates.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); Gordon and Betty Moore Foundation

Grant/Contract Number:: AC02-76SF00515; GBMF 4305; GBMF 8691; AC02-05CH11231

OSTI ID:: 2204549

Journal Information:: Nature Communications, Vol. 14, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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