Density functional theory study of La2Ce2O7: Disordered fluorite versus pyrochlore structure

D. E. P. Vanpoucke*, P. Bultinck, S. Cottenier, V. Van Speybroeck, I. Van Driessche

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

Original languageEnglish
Article number054110
Number of pages9
JournalPhysical Review B (Condensed Matter and Materials Physics)
Volume84
Issue number5
DOIs
Publication statusPublished - 12 Aug 2011
Externally publishedYes

Keywords

  • LANTHANUM-CERIUM OXIDE
  • AUGMENTED-WAVE METHOD
  • SOL-GEL ROUTES
  • ELECTRONIC-STRUCTURE
  • MOLECULAR-DYNAMICS
  • CRYSTAL-STRUCTURE
  • PHASE
  • APPROXIMATION
  • CONDUCTIVITY
  • LATTICE

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