Revisiting the neutral C-vacancy in diamond: Localization of electrons through DFT plus U

Danny E. P. Vanpoucke*, Ken Haenen

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

Original languageEnglish
Pages (from-to)60-69
Number of pages10
JournalDiamond and Related Materials
Volume79
DOIs
Publication statusPublished - Oct 2017

Keywords

  • Diamond
  • DFT
  • Defect
  • Electronic structure
  • RAMAN-SPECTROSCOPIC FEATURES
  • DENSITY-FUNCTIONAL THEORY
  • INTERSTITIAL DEFECT
  • SELF-DIFFUSION
  • SEMICONDUCTORS
  • NITROGEN

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