论文标题
优化超导率:从铜酸盐通过镍到palladates
Optimizing superconductivity: from cuprates via nickelates to palladates
论文作者
论文摘要
由铜和镍酸盐超导体动机,我们对单频段哈伯德模型中的超导不稳定进行了全面的研究。我们使用动力学顶点近似,计算频谱和超导转换温度$ t _ {\ rm c} $作为填充和库仑相互作用的函数。我们发现高$ t _ {\ rm c} $的最佳位置是中间耦合,中度费米表面翘曲和低洞掺杂。将这些结果与第一原理计算相结合,镍和酸奶在单带描述中均未接近这一最佳。取而代之的是,我们确定了一些pallaties,特别是rbsr $ _2 $ pdo $ _3 $和$ a^{\ prime} _2 $ pdo $ _2 $ _2 $ cl $ cl $ _2 $($ a^{\ prime} $ = ba $ _ $ _ {0.5} $ la $ la $ _ $ _ {0.5} $,an弱相关。
Motivated by cuprate and nickelate superconductors, we perform a comprehensive study of the superconducting instability in the single-band Hubbard model. We calculate the spectrum and superconducting transition temperature $T_{\rm c}$ as a function of filling and Coulomb interaction for a range of hopping parameters, using the dynamical vertex approximation. We find the sweet spot for high $T_{\rm c}$ to be at intermediate coupling, moderate Fermi surface warping, and low hole doping. Combining these results with first principles calculations, neither nickelates nor cuprates are close to this optimum within the single-band description. Instead, we identify some palladates, notably RbSr$_2$PdO$_3$ and $A^{\prime}_2$PdO$_2$Cl$_2$ ($A^{\prime}$=Ba$_{0.5}$La$_{0.5}$), to be virtually optimal, while others, such as NdPdO$_2$, are too weakly correlated.