The formation of Ti-O tetrahedra and band gap reduction in SiO2 via pulsed ion implantation

Abstract

Titanium ions are implanted into amorphous SiO2 at two different fluences using pulsed ion implantation, and the resulting samples are annealed. Bulk sensitive soft X-ray absorption spectroscopy of the Ti L 2, 3 edge reveal strikingly different spectra for the two fluences. Spectral simulations using multiplet crystal field theory show clearly that for low fluence the Ti ions have a local octahedral coordination, while at higher fluence the formation of Ti4-O tetrahedra dominates. Using O K-edge X-ray absorption and emission, the effect of the Ti states on the valence and conduction bands of the host SiO2 is revealed. With the introduction of Ti tetrahedra, the band gap reduces from about 8 eV to just over 4 eV, due entirely to the Ti 3d conduction band states. These results demonstrate the possibility to obtain Ti-O tetrahedra in silica by Ti ion implantation and a suitable thermal treatment, clarify the mechanism of band gap reduction with Ti doping in SiO2, and demonstrate the sensitivity of L-edge X-ray absorption with a multiplet crystal field theory analysis to the Ti coordination of novel materials. © 2013 American Institute of Physics.