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First principles study of oxygen-deficient centers in pure and Ge-doped silica

✍ Scribed by N. Richard; S. Girard; L. Martin-Samos; V. Cuny; A. Boukenter; Y. Ouerdane; J.-P. Meunier

Book ID
116672695
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
552 KB
Volume
357
Category
Article
ISSN
0022-3093

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A first principles study of positively c
A first principles study of positively charged oxygen vacancies migration in pure and Ge-doped amorphous silica
✍ Richard Nicolas; Girard Sylvain; Martin-Samos Layla; Boukenter Aziz; Ouerdane Yo πŸ“‚ Article πŸ“… 2008 πŸ› Elsevier Science 🌐 English βš– 225 KB

Using first principles calculations in a periodic amorphous silica supercell, we calculated the energies and the migration barriers of a positively charged oxygen vacancy in pure and germanium-doped silica. The results show that the puckered and dimer structures of the Si-E 0 and of the Ge-E 0 cente