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.
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Acknowledgments J.A.F.-L. acknowledges the computational resources under the project s752 from the Swiss National Supercomputing Center (CSCS) in Lugano.
©2018 The Physical Society of Japan