Loading...

Ag Raman modes and ion-position dependence of the electronic structures of Y Ba2 Cu3 O7 and Y Ba2 Cu4 O8 from first principles

Khosroabadi, H ; Sharif University of Technology | 2007

203 Viewed
  1. Type of Document: Article
  2. DOI: 10.1103/PhysRevB.76.054508
  3. Publisher: 2007
  4. Abstract:
  5. Calculations of the frozen phonon for Ag Raman modes of the superconducting Y Ba2 Cu3 O7 and Y Ba2 Cu4 O8 systems have been carried out using the pseudopotential density functional theory in the local density approximation employing the VASP code. The eigenvalues and eigenvectors of the Ag Raman modes for the two systems have been calculated and compared with other experimental and computational studies. Electronic band structure and total density of states have been calculated for all the bare Ag modes for both systems. By calculating the changes in the bands intersecting the Fermi energy by ionic displacements, the ionic dependence of the electronic band structure in each of the Ag Raman modes and the relative importance of each mode have been investigated. This study suggests a strong ionic position dependence of the electronic band structure, and hence an indirect evidence for strong electron-phonon interaction in these systems. © 2007 The American Physical Society
  6. Keywords:
  7. Critical temperature ; Plasmons ; Linear dependence
  8. Source: Physical Review B - Condensed Matter and Materials Physics ; Volume 76, Issue 5 , 2007 ; 10980121 (ISSN)
  9. URL: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.76.054508