Abstract
The atomic structure and electronic properties of aluminum (Al)-related defect complexes in silicon (Si) are investigated using first-principles calculations. Individual substitutional Al (AlSi), interstitial Al (Ali) and their possible complex configurations with oxygen (O) atoms are studied. We find a unique stable complex configuration consisting of an Ali and an oxygen dimer, Ali-2Oi, which introduces deep levels in the band gap of Si. The formation energies of the Ali-2Oi complexes could be lower than that of individual Ali atoms under oxygen-rich conditions. The formation of Al i-2Oi complexes may explain the experimental observation that the coexistence of Al and O results in reduced carrier lifetime in Si wafers.
Original language | American English |
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Article number | Article No. 063520 |
Number of pages | 5 |
Journal | Journal of Applied Physics |
Volume | 114 |
Issue number | 6 |
DOIs | |
State | Published - 14 Aug 2013 |
NREL Publication Number
- NREL/JA-5200-60519