Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1816143 | Physica B: Condensed Matter | 2007 | 9 Pages |
Abstract
Using full-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have investigated the effect of aluminum heteroatoms on the geometric structures and bond characteristics of Sin (n=5-10) clusters in detail. It is found that the geometric framework of the ground state structures for Sin (n=5-10) clusters change to some extent upon the substitution of Al atoms in some Si atoms. The effect of aluminum doping on the silicon clusters depends on the geometric structures of Sin (n=5-10) clusters. In particular, the calculations suggest that the aluminum doping would improve the bond strength of some Si-Si bonds in the mixed SinâmAlm clusters.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Shi-chang Zhan, Bao-xing Li, Jian-song Yang,