Correlation-enhanced electron-phonon coupling and superconductivity in (Ba,K)SbO3 superconductors
Zhihong Yuan, Pengyu Zheng, Yiran Peng, Rui Liu, Xiaobo Ma, Guangwei Wang, Tianye Yu, Zhiping Yin
DOI 10.1103/PhysRevB.105.014517 · Physical Review B
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Abstract
The electronic structure, lattice dynamics, and electron-phonon coupling (EPC) of the recently discovered (Ba,K)SbO3 superconductors are investigated by first-principles calculations. The EPC of (Ba,K)SbO3 is significantly enhanced by considering nonlocal electronic correlation using the Heyd-Scuseria-Ernzerhof hybrid exchange-correlation functional (HSE06). The EPC strength λ of Ba0.35K0.65SbO3 is strongly increased from 0.33 in local-density approximation calculations to 0.59 in HSE06 calculations, resulting in a superconducting transition temperature Tc of about 14.9 K, which is in excellent agreement with experimental value of ∼15 K. Our findings suggest (Ba,K)SbO3 are extraordinary conventional superconductors, where nonlocal electronic correlation expands the bandwidth, enhances the EPC, and boosts the Tc. Moreover, we find both λ and Tc depend crucially on the K-doping level for (Ba,K)SbO3 and (Ba,K)BiO3 compounds. (Ba,K)SbO3 have stronger EPC strength and higher Tc than those of (Ba,K)BiO3 at the same K-doping level.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Ba0.35K0.65SbO3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 14.9 | Pressure not reported | unknown |
| Ba0.35K0.65SbO3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 15 | Pressure not reported | unknown |
| Ba0.6K0.4BiO3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| Ba0.51K0.49BiO3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 22 | Pressure not reported | unknown |
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