A theoretical study of point defects incorporated into CVD-grown α-alumina
(English)Manuscript (preprint) (Other academic)
The energetics and electronic structure of a number of defects; C, Cl, H and S in alpha-Al2O3 is investigated. These species are present in the gas phase during the Chemical Vapor Deposition (CVD) and little is known of their solubility in alpha-Al2O3. It is found that not only the hydrogen interstitial, which is already wellknown for its dual action as a donor and acceptor defect will be amphotheric, but also the carbon and sulfur interstitial may gain both negative and positive charge states. However, at the CVD equilibrium conditions, charge compensation between the different defects will most likely not take place. For this a non equilibrium method such as Plasma Enhanced CVD or Physical Vapor Deposition (PVD) is needed.
IdentifiersURN: urn:nbn:se:kth:diva-29338OAI: oai:DiVA.org:kth-29338DiVA: diva2:393823
QC 201102012011-02-012011-02-012011-02-01Bibliographically approved