Electron-Phonon Coupling and Superconducting Critical Temperature of the YIr sub( 2)Si sub( 2) and LaIr sub( 2)Si sub( 2) High-Temperature Polymorphs from First-Principles

Ab initio calculations of the electronic structure and lattice-vibrational properties were performed on the superconducting high-temperature polymorphs of YIr...Si... and LaIr...Si... The electron-phonon coupling constants ... were found to be 0.61 and 0.56 for YIr...Si... and LaIr...Si..., respectively. The superconducting critical temperatures estimated from the Allen-Dynes formula agree well with the available experimental data and indicate that the superconductivity in these compounds can be explained by intermediate strength electron-phonon coupling. (ProQuest: ... denotes formulae/symbols omitted.)