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Lookup NU author(s): Dr Jon Goss
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A cluster comprising of indium, antimony and a vacancy in silicon is analysed using the planewave pseudopotential technique. This cluster has a strong binding energy that inhibits indium diffusion after high temperature anneal cycles. Difficulties associated with the simulation of a vacancy using the supercell approach are initially highlighted. In comparison, the indium-antimony-vacancy cluster reveals stronger distortions and reduction in relaxation volume. The indium atom in the relaxed cluster shows nearly six-fold coordination whereas the antimony atom acquires four neighbours. Due to the low symmetry of the centre, in constrast to the isolated vacancy there is no propensity for a Jahn-Teller effect. It gives rise to two defect levels in the bandgap.
Author(s): Desouza MM, Goss J
Publication type: Article
Publication status: Published
Journal: Diffusion and Defect Data. Pt A Defect and Diffusion Forum
ISSN (print): 1012-0386
Publisher: Scitec Publications Ltd.