Elastic, electronic, lattice dynamical properties and electron-phonon interaction in the ternary superconductors Ba(GaGe) and Ba(GaSi)
MetadataShow full item record
We report the results of an ab-initio study of electronic, and detailed lattice dynamical properties of superconducting materials, Ba(GaGe) and Ba(GaSi). The phonon dispersion curves along the high-symmetry directions and phonon frequencies parameters at the Brillouin zone center are computed by using density functional perturbation theory while the elastic constants are calculated in metric-tensor formulation. The band structure, and partial densities of states and Fermi surface topology are also discussed. The transition temperature T-c of superconductivity in these compounds have been evaluated. We found the values of electron-phonon coupling constant at 0.85 and 0.84 for Ba(GaSi) and Ba(GaSe). (C) 2014 Elsevier B. V. All rights reserved.