Structure of hydrogenated silicon clusters. Small clusters

被引：5
|
作者：
Meleshko, VP [1 ]
Morokov, YN [1 ]
Shveigert, VA [1 ]
机构：
[1] Russian Acad Sci, Inst Theoret & Appl Mech, Siberian Branch, Novosibirsk, Russia
来源：
JOURNAL OF STRUCTURAL CHEMISTRY | 1999年 / 40卷 / 01期
关键词：
D O I：
10.1007/BF02700771
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The ground state structures of silicon hydride clusters SinHm containing up to 12 silicon atoms are obtained by numerical modeling. The cluster geometry is optimized for a wide set of initial structures using the MINDO/3 approximation for Monte Carlo simulation of interatomic interactions. The energy of the cluster depending on the content of hydrogen is studied, and if is shown that the Si-H and Si-Si bond energies depend little on the cluster size.
引用
收藏
页码：10 / 15
页数：6
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