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Phonon frequency calculations of GdBCO and PrBCO

Tavana, A ; Sharif University of Technology | 2006

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  1. Type of Document: Article
  2. DOI: 10.1002/pssc.200567125
  3. Publisher: 2006
  4. Abstract:
  5. Ab initio frozen-phonon calculations have been performed for k = 0 A g Raman modes of superconducting GdBa2Cu3O 7 and insulating PrBa2Cu3O7. We have used the generalized gradient approximation full-potential linear augmented plane-wave method in our calculations by Wien2k code. Results have been compared with other computational and experimental data for similar systems. © 2006 WILEY-VCH Verlag GmbH & Co. KGaA
  6. Keywords:
  7. Gradient approximations ; Phonon frequency calculations ; Raman modes ; Wien2k codes ; Approximation theory ; Band structure ; Computational methods ; Frequencies ; Gadolinium compounds ; Raman scattering ; Superconducting materials
  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 3162-3165 ; 18626351 (ISSN)
  9. URL: https://onlinelibrary.wiley.com/doi/10.1002/pssc.200567125