First-principles embedded cluster calculations were made of the hyperfine parameters, g-tensors and optical excitation energies for the dimer and back-projected configurations of the E’ centre in amorphous silica. The optical transition energies of these defects were calculated for the first time. A strong optical transition at about 6.3eV was predicted for the dimer configuration, and a relatively weak transition at 5.6eV for the back-projected configuration of the E’ centre. The results supported the dimer model of the Eδ’ centre and, for the first time, provided a full range of spectroscopic parameters for the back-projected configuration of the E’ centre in amorphous silica.

Spectroscopic Features of Dimer and Dangling Bond E' Centres in Amorphous Silica. S.Mukhopadhyay, P.V.Sushko, V.A.Mashkov, A.L.Shluger: Journal of Physics - Condensed Matter, 2005, 17[8], 1311-8