VV and VO2 defects in silicon studied with hybrid density functional theory

Stavros Richard G Christopoulos, Hao Wang, Alexander I. Chroneos, Charalampos A. Londos, Efstratia N. Sgourou, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

9 Scopus citations


The formation of VO (A-center), VV and VO2 defects in irradiated Czochralski-grown silicon (Si) is of technological importance. Recent theoretical studies have examined the formation and charge states of the A-center in detail. Here we use density functional theory employing hybrid functionals to analyze the formation of VV and VO2 defects. The formation energy as a function of the Fermi energy is calculated for all possible charge states. For the VV and VO2 defects double negatively charged and neutral states dominate, respectively.
Original languageEnglish (US)
Pages (from-to)1568-1571
Number of pages4
JournalJournal of Materials Science: Materials in Electronics
Issue number3
StatePublished - Dec 7 2014

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Electronic, Optical and Magnetic Materials
  • Electrical and Electronic Engineering
  • Condensed Matter Physics


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