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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.
High-temperature behaviour of thermopower is special in cuprates, allowing for theory-experiment comparisons. Wang et al. use quantum Monte Carlo to compute high temperature thermopower in the Hubbard model, demonstrating qualitative and quantitative agreement with experiments across multiple cuprate families.
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1 Stanford University, Department of Applied Physics, Stanford, USA (GRID:grid.168010.e) (ISNI:0000 0004 1936 8956); SLAC National Accelerator Laboratory, Stanford Institute for Materials and Energy Sciences, Menlo Park, USA (GRID:grid.445003.6) (ISNI:0000 0001 0725 7771)
2 University of Illinois at Urbana-Champaign, Department of Physics and Institute of Condensed Matter Theory, Urbana, USA (GRID:grid.35403.31) (ISNI:0000 0004 1936 9991); University of Notre Dame, Department of Physics and Astronomy, Notre Dame, USA (GRID:grid.131063.6) (ISNI:0000 0001 2168 0066); University of Notre Dame, Stavropoulos Center for Complex Quantum Matter, Notre Dame, USA (GRID:grid.131063.6) (ISNI:0000 0001 2168 0066)
3 SLAC National Accelerator Laboratory, Stanford Institute for Materials and Energy Sciences, Menlo Park, USA (GRID:grid.445003.6) (ISNI:0000 0001 0725 7771)
4 SLAC National Accelerator Laboratory, Stanford Institute for Materials and Energy Sciences, Menlo Park, USA (GRID:grid.445003.6) (ISNI:0000 0001 0725 7771); Stanford University, Department of Materials Science and Engineering, Stanford, USA (GRID:grid.168010.e) (ISNI:0000 0004 1936 8956); Stanford University, Geballe Laboratory for Advanced Materials, Stanford, USA (GRID:grid.168010.e) (ISNI:0000 0004 1936 8956)