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Silicon vacancy.
In the study of Windl et al., the kinetic energy is transferred to the PKA to generate one silicon vacancy (VSi) and one silicon interstitial (Siint) defects [18].
VSi: silicon vacancy; Siint: silicon interstitial Fig. 3 a d Schematic view of geometrical structures of damage Ge after recoil events.
Fig. 6 The migration barrier of silicon vacancy (VSi) and germanium vacancy (VGe) defects obtained by a cluster nudged elastic band method.
As with previous studies using Ti as a dopant, we assign these bands to formation of a titano-clinohumite point defect within the forsterite structure (Eq. 2), with the resultant generation of a silicon vacancy explaining the similar wavenumbers to bands from [Si] experiments.
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Also reported is the water associated with silicon vacancies in [Ti] experiments, calculated from band deconvolution.
Conversely, at low water activities, the ratio of hydrated silicon vacancies to other hydrous defects will be much lower.
There has been debate in the literature concerning whether silicon vacancies or magnesium vacancies are the main host of water in olivine.
The consequence of this is that under otherwise identical conditions, higher water activities will favour hydrated silicon vacancies ([Si]) over other defects.
However, the most significant additional band is the presence of relatively strong absorbance associated with silicon vacancies in [Ti] and [triv] experiments, despite the fact that they were run under enstatite-buffered conditions ( left(mathrm{high} {a}_{{mathrm{SiO}}_2}right) ).
These observations are all consistent with hydrogen bonding to oxygen atoms surrounding silicon vacancies in the olivine structure, as denoted in Eq. 1 and supported by other studies investigating hydrous defect configurations (Ingrin et al. 2013; Blanchard et al. 2017).
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