Sanna, A., Flores Livas, J. A., Davydov, A., Profeta, G., Dewhurst, J. K., Sharma, S., Gross, E. K. U.
Ab-initio Eliashberg theory: Making genuine predictions of superconducting features
Journal of the Physical Society of Japan 87, (4),pp 041012/1-8 (2018)
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.
TH-2018-04