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 language | English |
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Article number | 121201 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 72 |
Issue number | 12 |
DOIs | |
State | Published - Sep 15 2005 |