Abstract
We present a possible mechanism of electron trapping in Ge-doped SiO2 glass on the basis of first-principles quantum chemical calculations on clusters of atoms modeling the local structures in the glassy system. The calculations suggest that the so-called “Ge(1) and Ge(2)” centers are distinctly different electron centers rather than GeO4− variants and that an electron trapped at an oxygen vacancy site is a promising candidate for Ge(2).
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