论文标题
（BA，K）SBO $ _3 $超导体
Correlation-enhanced electron-phonon coupling and superconductivity in (Ba,K)SbO$_3$ superconductors
论文作者
论文摘要
第一原则计算研究了新发现的（BA，K）SBO $ _3 $超导体的电子结构，晶格动力学和电子偶联（EPC）。 （BA，K）SBO $ _3 $的EPC通过考虑使用HEYD-SCUSERIA-ERNZERHOF HYBRID交换函数（HSE06）来显着增强。 Ba $ _ {0.35} $ k $ _ {0.65} $ sbo $ _3 $的EPC强度λ强烈增加从0.33局部密度近似计算计算中的0.59 hse06计算中的0.59，导致超导的过渡温度TC具有约14.9 k的过渡温度，这是实验性的15 K，这是一致性的15 k。 （ba，k）SBO $ _3 $是非凡的常规超导体，非本地电子相关性扩大带宽，增强EPC并增强TC。此外，我们发现λ和TC都取决于（ba，k）sbo $ _3 $和（ba，k）sbo $ _3 $化合物的k掺杂级别。 （BA，K）SBO $ _3 $具有与（BA，K）SBO $ _3 $在同一K兴奋剂水平上的EPC强度更强和更高的TC。
The electronic structure, lattice dynamics, and electron-phonon coupling (EPC) of the newly discovered (Ba,K)SbO$_3$ superconductors are investigated by first-principles calculations. The EPC of (Ba,K)SbO$_3$ is significantly enhanced by considering non-local electronic correlation using the Heyd-Scuseria-Ernzerhof hybrid exchange-correlation functional (HSE06). The EPC strength λ of Ba$_{0.35}$K$_{0.65}$SbO$_3$ 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)SbO$_3$ are extraordinary conventional superconductors, where non-local 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)SbO$_3$ and (Ba,K)SbO$_3$ compounds. (Ba,K)SbO$_3$ have stronger EPC strength and higher Tc than those of (Ba,K)SbO$_3$ at the same K-doping level.
