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Sakakibara, Hirofumi Department of Applied Mathematics and Physics, Tottori University / Computational Condensed Matter Physics Laboratory, RIKEN Researchers DB KAKEN
We have applied the model-mapped random phase approximation (RPA) [H. Sakakibara et al., J. Phys. Soc. Jpn. 86, 044714 (2017)] to the cuprate superconductors La2CuO4 and HgBa2CuO4, resulting in two-orbital Hubbard models. All the model parameters are determined based on first-principles calculations. For the model Hamiltonians, we perform fluctuation exchange calculation. Results explain relative height of Tc observed in experiment for La2CuO4 and HgBa2CuO4. In addition, we give some analyses for the interaction terms in the model, especially comparisons with those of the constrained RPA.
American Physical Society
Physical review. Third series. B, Condensed matter and materials physics
©2019 American Physical Society
H. Sakakibara and T. Kotani. Model-mapped random phase approximation to evaluate superconductivity in the fluctuation exchange approximation from first-principles. Physical review. Third series. B, Condensed matter and materials physics. 2019, 99, 195141
Faculty of Engineering/Graduate School of Engineering