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Coupling of the electronic band structure with Ag phonon modes in Y123 and Y124 systems

Khosroabadi, H ; Sharif University of Technology | 2006

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  1. Type of Document: Article
  2. DOI: 10.1002/pssc.200567022
  3. Publisher: 2006
  4. Abstract:
  5. Ab initio frozen-phonon calculations have been performed for k = 0 A g Raman modes of two superconducting systems Y123 and Y124. We have used the local density approximation pseudopotential method in our calculations by VASP code. Results have been compared with other computational and experimental data for similar systems. Then we present changes of electronic band structure with the change of ionic positions in each Ag mode for both systems. © 2006 WILEY-VCH Verlag GmbH & Co. KGaA
  6. Keywords:
  7. Ab initio frozen-phonon calculations ; Phonon modes ; Raman modes ; Superconducting systems ; Approximation theory ; Computational methods ; Electronic properties ; Phonons ; Raman scattering ; Superconducting devices ; Yttrium compounds ; Band structure
  8. Source: 4th International Conference on Magnetic and Superconducting Materials, MSM'05, Agadir, 5 September 2006 through 8 September 2006 ; Volume 3, Issue 9 , 2006 , Pages 3140-3143 ; 18626351 (ISSN)
  9. URL: https://onlinelibrary.wiley.com/doi/10.1002/pssc.200567022