Quantitative assessment of the universal thermopower in the Hubbard model

Wen O. Wang (), Jixun K. Ding, Edwin W. Huang, Brian Moritz and Thomas P. Devereaux ()
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Wen O. Wang: Stanford University
Jixun K. Ding: Stanford University
Edwin W. Huang: University of Illinois at Urbana-Champaign
Brian Moritz: SLAC National Accelerator Laboratory
Thomas P. Devereaux: SLAC National Accelerator Laboratory

Nature Communications, 2023, vol. 14, issue 1, 1-6

Abstract: Abstract 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.

Date: 2023
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DOI: 10.1038/s41467-023-42772-8

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