Abstract
In this work we investigate paramagnetic centers in amorphous germania (a-GeO2). We provide an analysis of the Fermi contacts and of the g-tensors calculated by first-principles for the E′-Ge, Ge–Ge and Ge forward-oriented (GeFO) configurations. The electron paramagnetic resonance (EPR) parameters calculated for the Ge–Ge configurations, where the unpaired electron is shared between two Ge nearest neighbors, do not support such a model of the E′-Ge∗, nor the latter can be simply regarded as an E′-Ge center with a distorted geometry. A fair agreement with the experimental EPR parameters supports the assignment of the Ge(2) center in a-GeO2 to GeFO configurations. Furthermore we show that electronic levels induced in the bandgap by GeFO configurations are considerably deeper (∼1eV) with respect to those related to the E′-Ge centers.
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