Theoretical studies of interstitial boron defects in silicon
Research output: Contribution to journal › Article
We employ pseudopotential plane-wave calculations to study the interstitial B in Si in different ionic configurations and charge states. For all charge states the ground state is a B-Si pair in which the B atom is close to a substitutional site and the Si atom in a nearby tetrahedral position. The defect has negative-U property and exhibits a symmetry-lowering distortion. We also report several metastable configurations which are close in formation energy. The relation of the defects to B diffusion is discussed.
|Number of pages||3|
|Journal||Physica B: Condensed Matter|
|Publication status||Published - 15 Dec 1999|
|MoE publication type||A1 Journal article-refereed|