G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach

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

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9 Scopus citations

Abstract

Electronic structure calculations employing screened hybrid density functional theory are used to gain fundamental insight into the interaction of carbon interstitial (Ci) and substitutional (Cs) atoms forming the CiCs defect known as G-center in silicon (Si). The G-center is one of the most important radiation related defects in Czochralski grown Si. We systematically investigate the density of states and formation energy for different types of CiCs defects with respect to the Fermi energy for all possible charge states. Prevalence of the neutral state for the C-type defect is established.
Original languageEnglish (US)
Pages (from-to)183509
JournalJournal of Applied Physics
Volume115
Issue number18
DOIs
StatePublished - May 14 2014

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