Computer simulations of the generation kinetics of thermal double donors (T
DD's) in Czochralski-grown silicon have been performed and compared with ex
perimental data for samples heat treated at temperatures between 350 and 42
0 degrees C for durations up to 500 h. The experimental data were obtained
by Fourier-transform infrared spectroscopy exploring the recent finding tha
t local vibrational modes can be associated with the individual TDD's. A mo
del assuming sequential generation of the TDD's and a fast diffusing oxygen
dimer has been found to quantitatively reproduce the experimental data. Th
e diffusivity of the oxygen dimer was estimated to be similar to 10(6) time
s the value of interstitial oxygen at 400 degrees C, with an activation ene
rgy of similar to 1.3 eV and a preexponential factor of similar to 3 x 10(-
4) cm(2) s(-1). The transformation from TDD1 to TDD2 is well described by a
first-order reaction having an activation energy of similar to 2.5 eV, str
ongly indicating that the process involves motion of interstitial oxygen at
oms (O-i). This conclusion is further supported by the deduced value for th
e preexponential factor, being very close to that for the jump frequency of
O-i. [S0163-1829(98)04843-7].