A-centers in silicon studied with hybrid density functional theory

Hao Wang, Alexander Chroneos, C. A. Londos, Udo Schwingenschlögl, E. N. Sgourou

Research output: Contribution to journalArticlepeer-review

39 Scopus citations


Density functional theory employing hybrid functional is used to gain fundamental insight into the interaction of vacancies with oxygen interstitials to form defects known as A-centers in silicon. We calculate the formation energy of the defect with respect to the Fermi energy for all possible charge states. It is found that the neutral and doubly negatively charged A-centers dominate. The findings are analyzed in terms of the density of states and discussed in view of previous experimental and theoretical studies.
Original languageEnglish (US)
Pages (from-to)052101
JournalApplied Physics Letters
Issue number5
StatePublished - Jul 29 2013

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)


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