Ge (2), Ge (1) and Ge-E′ centers in irradiated Ge-doped silica: a first-principles EPR study

L. Giacomazzi; Layla Martin-Samos; Aziz Boukenter; Youcef Ouerdane; Sylvain Girard; Nicolas Richard

Ge (2), Ge (1) and Ge-E′ centers in irradiated Ge-doped silica: a first-principles EPR study

L. Giacomazzi ¹ Layla Martin-Samos ² Aziz Boukenter ³ Youcef Ouerdane ³ Sylvain Girard ³ Nicolas Richard ⁴

1 CNR-IOM DEMOCRITOS

2 UNG - University of Nova Gorica

3 LHC - Laboratoire Hubert Curien [Saint Etienne]

4 DAM/DIF - DAM Île-de-France

Abstract : We present a first-principles investigation of Ge paramagnetic centers in Ge-doped vitreous silica (v-SiO2) based on calculations of the electron paramagnetic resonance (EPR) parameters. We infer, by analyzing g-values differences with respect to our Ge-E′ configurations, that the EPR signal of the Ge(2) center may arise from Ge forward-oriented (Ge-FO) configurations, where the unpaired spin is localized at a three-fold Ge atom featuring a weak bond with a three-fold O atom, ∼ 1.9 Å long. Moreover we show that two-fold Ge atoms, i.e. the germanium lone pair centers (GLPC), under irradiation can easily convert into Ge-FO configurations consistently with experimental observations.

Document type :

Journal articles

Domain :

Physics [physics] / Condensed Matter [cond-mat]

Complete list of metadatas

https://hal-ujm.archives-ouvertes.fr/ujm-01185806
Contributor : Sylvain Girard <>
Submitted on : Friday, August 21, 2015 - 3:26:49 PM
Last modification on : Thursday, September 5, 2019 - 10:40:15 AM

Ge (2), Ge (1) and Ge-E′ centers in irradiated Ge-doped silica: a first-principles EPR study

Identifiers

Collections

Citation

Export

Metrics

128

Contact

Ge (2), Ge (1) and Ge-E′ centers in irradiated Ge-doped silica: a first-principles EPR study

Identifiers

Collections

Citation

Export

Share

Metrics

128

Contact