原子与分子物理学报2007，Vol.24Issue(4)：653-661,9.
中等尺寸SiN团簇结构和相对稳定性的研究(21≤N≤50,N=60)
Structures and relative stability of medium-sized SiN clusters(21≤N≤50 and N=60)
马丽 1赵纪军2
作者信息
- 1. 大连理工大学三束国家重点实验室
- 2. 大连理工大学物理与光电工程学院
- 折叠
摘要
Abstract
Over the past two decades, investigation of medium-sized silicon clusters has been an active area of research. In order to identify the growth pattern of low-lying clusters from medium to large sized, in this article, we review the structures and relative stability of medium-sized SiN clusters for 21≤N≤50 and N=60. For Si21-Si29, the predicted lowest-energy clusters (except Si27) exhibit prolate structures. For N≥30 the silicon clusters tend to adopt endohedral fullerene configurations. As cluster size increases (N≥41),tetrahedron configurations emerge in the core structures as embryo of bulk diamond lattice. The SiN cluster up to N = 60 has already deviated from the molecule-like behavior of small clusters, but the transition into bulk solid has not completed yet. The structural motif by endohedral fullerene of medium-sized silicon clusters represents an intermediate stage of the transition from molecule-like to bulk-like behavior.关键词
硅团簇/结构/相对稳定性/生长行为Key words
silicon cluster/structure/relative stability/growth pattern分类
数理科学引用本文复制引用
马丽,赵纪军..中等尺寸SiN团簇结构和相对稳定性的研究(21≤N≤50,N=60)[J].原子与分子物理学报,2007,24(4):653-661,9.
