Stability of Ge-related point defects and complexes in Ge-doped SiO2
C. M. Carbonaro, V. Fiorentini, F. Bernardini
Abstract
We analyze Ge-related defects in Ge-doped SiO2 using first-principles density functional techniques. Ge is incorporated at the level of ~ 1 mol % and above. The growth conditions of Ge:SiO2 naturally set up oxygen deficiency, with vacancy concentration increasing by a factor 105 over undoped SiO2, and O vacancies binding strongly to Ge impurities. All the centers considered exhibit potentially EPR-active states, candidates for the identification of the Ge(n) centers. Substitutional Ge produces an apparent gap shrinking via its extrinsic levels.
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