Model-mapped random phase approximation to evaluate superconductivity in the fluctuation exchange approximation from first principles
Hirofumi Sakakibara, Takao Kotani
DOI 10.1103/PhysRevB.99.195141 · Physical Review B
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Abstract
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.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| La2CuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 39 | Pressure not reported | unknown |
| HgBa2CuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 98 | Pressure not reported | unknown |
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