Electron–phonon interaction and superconductivity in BaIr₂P₂

Abstract

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 electron-phonon coupling constant was [Formula: see text] and the logarithmically averaged phonon frequency was [Formula: see text] K. From the Allen-Dynes formula, with [Formula: see text], the superconducting critical temperature was estimated to be [Formula: see text] 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.

Novel 122-type Ir-based superconductors BaIr 2 Mi 2 (Mi = P and As): A density functional study

“…22 the obtained value of T c is much lower than that of the experimental and theoretical one but match well with the value (0.01 K) having from Ref. 17. This existing discrepancy suggests that the electrons in BaIr 2 P 2 might be strongly coupled for certain phonon modes [17].…”

“…17. This existing discrepancy suggests that the electrons in BaIr 2 P 2 might be strongly coupled for certain phonon modes [17]. In case of BaIr 2 As 2 superconductor the comparison of our estimated superconducting parameters are not possible due to the absence of other theoretical letters.…”

“…22 the obtained value of T c is much lower than that of the experimental and theoretical one but match well with the value (0.01 K) having from Ref.17. This existing discrepancy suggests that the electrons in BaIr 2 P 2 might be strongly coupled for certain phonon modes [17]. In case of BaIr 2 As 2 superconductor the comparison of our estimated superconducting parameters are not possible due to the absence of other theoretical letters.…”

“…D. Billington el al. calculates the electron phonon coupling constant of BaIr 2 P 2 intermetallic as 0.52 according to which BaIr 2 P 2 is a moderate coupling superconductor [17]. So the results obtaining from the investigation of Berry et al and D. Billington el al. show some contradiction and it will be discussed in this present letter.…”