Precursor defect to the vacancy-dioxygen center in Si

Abstract

In a recent paper [Phys. Rev. B 50, 11 531 (1994)] we have tentatively attributed two new infrared bands at 914 cm $^{\mathrm{\ensuremath{-}}1}$ and 1000 ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}1}$, in neutron-irradiated Czochralski-grown silicon, to a [VO+${\mathrm{O}}_{\mathit{i}}$] structure that was considered to develop as an intermediate stage in the process of conversion of a VO center to a ${\mathrm{VO}}_{2}$ complex upon heat treatment. As a continuation of this work, we further investigate [VO+${\mathrm{O}}_{\mathit{i}}$] structure and the formation of intermediate defects. In addition, we present semiempirical calculations of the localized vibrational mode frequencies of the [VO+${\mathrm{O}}_{\mathit{i}}$] defect. The results are consistent with the experimental observations. \textcopyright{} 1996 The American Physical Society.