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Paramagnetic centers in Ge-doped silica: A first-principles study

โœ Scribed by Pacchioni, Gianfranco; Mazzeo, Chiara

Book ID
115527627
Publisher
The American Physical Society
Year
2000
Tongue
English
Weight
337 KB
Volume
62
Category
Article
ISSN
1098-0121

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A first principles study of positively charged oxygen vacancies migration in pure and Ge-doped amorphous silica
โœ Richard Nicolas; Girard Sylvain; Martin-Samos Layla; Boukenter Aziz; Ouerdane Yo ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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