6533b855fe1ef96bd12afcf4

RESEARCH PRODUCT

Formation, diffusion, and aggregation of radiation-induced defects in MgO and α-Al 2 O 3

subject

description

MgO and M2O3 (corundum) are important ceramic materials with several technological applications including theirpossible use in fusion reactors' . Weare therefore studying the properties ofpoint defects (vacancies, interstitials, andtheir aggregates) and electronic defects (trapped holes and electrons) in these materials. Pair-potential (PP) calculationswere carried out using the Mott-Littleton (ML) two-region strategy, as implemented in the computer code CASCADEdue to Leslie. Details ofthe method, including the construction ofPPs, are in the literature3. For semi-empirical INDO(intermediate neglect ofdifferential overlap) calculations computer codes developed at the University of Riga were used