Abstract
The mechanism of enhancement of the nucleation and growth of oxide precipitates (SiO2) in heavily boron (B)-doped Czochralski (CZ) silicon (Si) crystals was analyzed by first principles calculation. At the initial stage of oxygen precipitation including a small number n of interstitial oxygen (O) atoms with and without one substitutional B atom, i.e., B–On complex and On complex, reduction of the total energy of stable B–On complex formation was greater than that of stable On complex formation from isolated B and O atoms. Other calculations showed that the O atom in B-doped Si diffused as O charge state with a diffusion barrier of about 2.0 eV, which was lower than the barrier of about 2.5 eV for the O charge state in intrinsic Si. This reduction of the diffusion barrier should be the mechanism responsible for the enhanced oxygen diffusion and enhanced precipitate growth in heavily B-doped CZ Si crystals.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
