Abstract
The local density functional theory is used to study the electrical levels and thermal stabilities of complexes of interstitial boron with O and C and a boron dimer with H. The energy levels of these defects are compared with those found from deep level transient capacitance spectroscopy experiments on irradiated p-Si containing B. The levels observed at Ec−0.23, Ev+0.29, and Ev+0.51 eV are assigned to BiOi, BiCs, and BiBsHi respectively. BiCs is passivated by one H atom. Evidence for the existence of BiCs has implications for mechanisms involved in the suppression of transient-enhanced diffusion of boron in ion-implanted Si by C.
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