Article ID Journal Published Year Pages File Type
8003623 Journal of Alloys and Compounds 2012 7 Pages PDF
Abstract
► AlnAs (n = 1-15) clusters obtained by density functional theory are reported. ► Growth pattern of most AlnAs is As-substituted the surface atom of Aln+1 clusters. ► Odd-even oscillations in ΔE, Δ2E, HOMO-LUMO gaps, EA, hardness are more pronounced. ► Clusters with an even number of valence electrons are more stable.
Related Topics
Physical Sciences and Engineering Materials Science Metals and Alloys
Authors
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