Electron–phonon interaction and superconductivity in BaIr2P2

Detailed calculations of the electronic structure, phonons and electron–phonon coupling of the superconducting compound BaIr2P2 were performed from first-principles. The electronic structure showed excellent agreement with the available experimental data. The total electronphonon coupling constant was λ =0.52 ep and the logarithmically averaged phonon frequency was ħ / ω = k 168 log B K. From the Allen–Dynes formula, with µ= ∗ 0.11, the superconducting critical temperature was estimated to be = T 2.05 c K, which is in excellent agreement with the experiment. These results indicate that the electron–phonon coupling is of moderate strength and is easily capable of supporting the observed superconductivity.