Elastic, electronic, lattice dynamical properties and electron-phonon interaction in the ternary superconductors Ba(GaGe) and Ba(GaSi)
Yükleniyor...
Dosyalar
Tarih
2015
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier Science Bv
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
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.
Açıklama
Anahtar Kelimeler
Superconductors, Ab Initio Calculations, Elastic Properties, Electronic Structure, Phonons
Kaynak
Computational Materials Science
WoS Q DeÄŸeri
Q2
Scopus Q DeÄŸeri
Q1
Cilt
96
