Stability of Ge-related point defects and complexes in Ge-doped SiO_2

Details Stability of Ge-related point defects and complexes in Ge-doped SiO_2 Stability of Ge-related point defects and complexes in Ge-doped SiO_2

2002-02-27

arxiv.org/abs/cond-mat/0202497v1

Physics

Condensed Matter

Materials Science

RevTeX 4 pages, 2 ps figures

Scientific paper

10.1103/PhysRevB.66.233201

We analyze Ge-related defects in Ge-doped SiO_2 using first-principles density functional techniques. Ge is incorporated at the level of ~ 1 mol % and above. The growth conditions of Ge:SiO_2 naturally set up oxygen deficiency, with vacancy concentration increasing by a factor 10^5 over undoped SiO_2, 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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