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Modelling of point defects alpha-Al2O3
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry.
1995 (English)In: RADIATION EFFECTS AND DEFECTS IN SOLIDS, ISSN 1042-0150, Vol. 134, no 1-4, 87-90 p.Article in journal (Other scientific) Published
Abstract [en]

The semiempirical method of the Intermediate Neglect of Differential Overlap (INDO), in the program SYM-SYM, has been used for calculations on perfect and imperfect corundum crystals. For the perfect crystal the periodical Large Unit Cell (LUG) model was

Place, publisher, year, edition, pages
1995. Vol. 134, no 1-4, 87-90 p.
Keyword [en]
alumina; F centre; point defects; SELF-TRAPPED HOLE; IONIC-CRYSTALS; COLOR-CENTERS; LUMINESCENCE; CORUNDUM; SAPPHIRE; EXCITONS; MG
Identifiers
URN: urn:nbn:se:uu:diva-41919OAI: oai:DiVA.org:uu-41919DiVA: diva2:69820
Note
Kotomin EA, UNIV LATVIA, INST SOLID STATE PHYS, RAINIS BLVD 19, RIGA 1050, LATVIA. UPPSALA UNIV, DEPT QUANTUM CHEM, S-75720 UPPSALA, SWEDEN. UNIV WESTERN ONTARIO, DEPT CHEM, LONDON, ON N6A 5B7, CANADA.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-16

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