Abstract
In the present paper, a calculation of the isotope frequency shifts of local mode caused by interstitial oxygen in silicon is presented by using a 9-atom cluster model based on the force constant approach. We find that the calculated result is not better than that of a single Si 2O molecular model. Even if the effects of non-central force and local distortion of lattice are taken into account, the result is still not expected well. In order to obtain the best fit with the experimental isotopic shifts, it is necessary to introduce the variation of the Si-O force constant with the different isotopes. It turns out that the Si-O force constant increases with increasing the mass of silicon atom but decreases with increasing the mass of oxygen atom.
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