不同过渡金属原子掺杂硅团簇效应的研究

Investigation on the Effect of Different Transition Metals Doped Silicon Clusters

持续的微电子技术小型化的趋势引发了对纳米结构构建的追求,硅基团簇的性质因其在应用科学和基础科学中的重要性而备受关注。掺入金属原子或氢化可以使悬空键饱和并诱导笼状硅簇的形成。不同的过渡金属掺杂使硅团簇具有了不同的效应。为了寻找能够比较稳定地存在于半导体材料的过渡金属元素,本文详细介绍和比较了不同的过渡金属掺杂对主硅团簇的影响,包括磁效应、稳定结构效应、电子结构效应。

The trend toward continued miniaturization of microelectronics has led to the pursuit of nanostructure construction, and the nature of silicon clusters has received much attention for its importance in applied science and basic science. The incorporation of metal atoms or hydrogenation can saturate the dangling bonds and induce the formation of caged silicon clusters. Different transition metal doping causes the silicon clusters to have different effects. This paper describes in detail the effects of different transition metal doping on the main silicon clusters, including magnetic effects, stable structural effects, and electronic structure effects.