Energetics of oxygen species in crystalline and amorphous

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Energetics of oxygen species in crystalline and amorphous
SiO2: a first-principles investigation
Angelo Bongiorno *, Alfredo Pasquarello
Institut Romand de Recherche Num
e erique en Physique des Mat
e eriaux (IRRMA), Ecole Polytechnique F
e ed
e erale de Lausanne (EPFL),
PPH-Ecublens, CH-1015 Lausanne, Switzerland