Ab initio Eliashberg Theory: Making Genuine Predictions of Superconducting Features

作者：Antonio Sanna, José A. Flores‐Livas, Arkadiy Davydov, Gianni Profeta, Kay Dewhurst, S. Sharma, Eberhard K. U. Gross · 发表于：Journal of the Physical Society of Japan · 年份：2018 · DOI：10.7566/jpsj.87.041012 · 被引用次数：109 · 研究领域：Iron-based superconductors research、Superconductivity in MgB2 and Alloys、Inorganic Chemistry and Materials

We present an application of Eliashberg theory of superconductivity to study a set of novel superconducting systems with a wide range of structural and chemical properties. The set includes three intercalated group-IV honeycomb layered structures, SH3 at 200 GPa (the superconductor with the highest measured critical temperature), the similar system SeH3 at 150 GPa, and a lithium doped mono-layer of black phosphorus. The theoretical approach we adopt is a recently developed, fully ab initio Eliashberg approach that takes into account the Coulomb interaction in a full energy-resolved fashion avoiding any free parameters like μ*. This method provides reasonable estimations of superconducting properties, including TC and the excitation spectra of superconductors.