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	直接带隙硅基超晶格Ⅵ_((A))/Si_m/Ⅵ_((B))/Si_m/Ⅵ_((A))的设计; Design of Direct Band Gap Si-based Superlattice Ⅵ_((A))/Si_m/Ⅵ_((B))/Si_m/Ⅵ_((A))
	张建立 ; 黄美纯 ; 李惠萍 ; 朱梓忠
	2003-05
关键词	Si基光电材料 Si/Ⅵ超晶格 能带结构 理论计算 Si-based optoelectronic materials superlattice electronic structures
英文摘要	【中文文摘】Si基光发射材料由于它具有与先进的Si微电子技术兼容和成本低廉的优势,是光电子集成(OEIC)工程应用的首选材料.但由于体材料Si属于间接带隙半导体,不可能成为有效的光发射体.如何设计具有直接带隙硅基材料,备受实验研究工作者和材料设计理论工作者的关注.本文介绍一种新的硅基超晶格Ⅵ(A)/Sim/Ⅵ(B)/Sim/Ⅵ(A)的能带结构计算.在密度泛函理论框架内,采用混合基从头算赝势法模拟计算表明,其中Se/Si6/O/Si6/Se及Se/Si6/S/Si6/Se超晶格具有相当理想的直接带隙特征,其带隙处于红外波段.预期这类新材料及有关器件会有优越的光发射和各种光学性能,其制作也可较方便地与硅微电子工艺兼容.预计该材料在信息光电子领域将有强大的应用潜力. 【英文文摘】The siliconbased optical emitting materials are always the first candidate materials for the optoelectronic IC (OEIC) and its engineering applications, due to its low cost and the excellent compatibility with the advanced Si technology in microelectronics. However, the crystalline bulk silicon is an indirect electronic bandgap semiconductor with very poor light emission efficiency. It has been considered unsuitable for optoelectronic applications. A great challenge to experimenters and theorists is that how to make or design an efficient Si-based light emission material using an advanced technology and physics principles. The authors present a new Si-based superlattice consisting of nano-silicon layers and VI momolayers. The structural formula is VI(A) / Si m/ VI(B) / Si m/ VI(A) . The interface Si-reconstruction has been considered in the mixed-basis norm-conserving non-local pseudopotentials method to study the electronic structures for the Si-based superlattices system. It is found that , for the cases of Se/ Si6/ O/ Si6/ Se and Se/ Si6/ S/ Si6/ Se , are semiconductors with a direct gap character a band-gap lie in the infrared range. It is expected that the materials and its devices have the excellent abilities for light emission and the other optical properties. In addition , this material is easily compatible with Simicroelectronics technologies. Therefore , the material produced from computational design may be having potential applications in the field of the optoelectronics.; 国家自然科学基金(10274064,60077029)资助
语种	中文
出版者	《厦门大学学报(自然科学版)》编辑部
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/7533]
专题	物理技术－已发表论文
推荐引用方式 GB/T 7714	张建立,黄美纯,李惠萍,等. 直接带隙硅基超晶格Ⅵ_((A))/Si_m/Ⅵ_((B))/Si_m/Ⅵ_((A))的设计, Design of Direct Band Gap Si-based Superlattice Ⅵ_((A))/Si_m/Ⅵ_((B))/Si_m/Ⅵ_((A))[J],2003.
APA	张建立,黄美纯,李惠萍,&朱梓忠.(2003).直接带隙硅基超晶格Ⅵ_((A))/Si_m/Ⅵ_((B))/Si_m/Ⅵ_((A))的设计..
MLA	张建立,et al."直接带隙硅基超晶格Ⅵ_((A))/Si_m/Ⅵ_((B))/Si_m/Ⅵ_((A))的设计".(2003).

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