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Article title INTERPLAY BETWEEN NANOSCALE ATOMIC AND ELECTRONIC STRUCTURES FOR CLUSTERS AND IRRADIATED THIN SEMICONDUCTING FILMS: MULTISCALE COMPUTER MODELING
Authors V.L. Mazalova, A.N. Kravcova, N.Yu. Smolencev, A.A. Guda, A.V. Soldatov
Section SECTION II. NANOMATERIALS
Month, Year 04, 2011 @en
Index UDC 535.372
DOI
Abstract On the basis of multiscale computer modeling using molecular dynamics, density functional theory and band structure theory an interplay between local atomic and electronic structure of free Ti nanoclusters and irradiated by swift heavy ions thin semiconducting films of GaN has been determined. Atomic structure parameters and electronic energy levels positions have been obtained as a function of the clusters size. Different types of point defects in irradiated by ions GaN films were studied and corresponding density of states have been calculated.

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Keywords Nanoclusters; nanoscale structure; electron structure; irradiated semiconductor films.
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