Calculations of Al dopant in alpha-quartz using a variational implementation of the Perdew-Zunger self-interaction correction

H. Gudmundsdóttir, E.Ö. Jónsson, Hannes Jónsson

Research output: Contribution to journalArticleScientificpeer-review

21 Citations (Scopus)
74 Downloads (Pure)
Original languageEnglish
Pages (from-to)123-127
JournalNew Journal of Physics
Volume17
Issue number8
DOIs
Publication statusPublished - 2015
MoE publication typeA1 Journal article-refereed

Keywords

  • defect states
  • oxides
  • self interaction correction

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