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.

Details

Title
Quantitative assessment of the universal thermopower in the Hubbard model
Author
Wang, Wen O. 1   VIAFID ORCID Logo  ; Ding, Jixun K. 1   VIAFID ORCID Logo  ; Huang, Edwin W. 2   VIAFID ORCID Logo  ; Moritz, Brian 3   VIAFID ORCID Logo  ; Devereaux, Thomas P. 4   VIAFID ORCID Logo 

 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) 
 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) 
 SLAC National Accelerator Laboratory, Stanford Institute for Materials and Energy Sciences, Menlo Park, USA (GRID:grid.445003.6) (ISNI:0000 0001 0725 7771) 
 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) 
Pages
7064
Publication year
2023
Publication date
2023
Publisher
Nature Publishing Group
e-ISSN
20411723
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2885678740
Copyright
© The Author(s) 2023. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.