Ab initiosupercell calculations on aluminum-related defects in SiC

Abstract

Ab initio supercell calculations of the binding energies predict complex formation between aluminum and carbon interstitials in SiC. In high-energy implanted SiC aluminum acceptor can form very stable complexes with two carbon interstitials. We also show that carbon vacancy can be attached to shallow aluminum acceptor. All of these defects produce deep levels in the band gap. The possible relation of these defects to the recently found aluminum-related deep-level transient spectroscopy centers is discussed. © 2007 The American Physical Society.