Cu0*: A metastable configuration of the {Cus,Cui} pair in Si

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Abstract

First-principles theory shows that the substitutional-interstitial copper pair in Si (Si-Cus Cui) has a metastable state with Cui very near a tetrahedral interstitial site in a trigonal Cus-Si Cui configuration that exhibits three low-frequency pseudolocal vibrational modes. The lowest of them, at 40cm-1, has A1 symmetry and is the likely source of the phonon sidebands observed at 52cm-1 in the photoluminescence band of a defect known as Cu0*.

Original languageEnglish
Article number121201
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume72
Issue number12
DOIs
StatePublished - Sep 15 2005

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