Show simple item record

dc.contributor.author柯三黄
dc.contributor.author王仁智
dc.contributor.author黄美纯
dc.date.accessioned2011-06-27T01:37:16Z
dc.date.available2011-06-27T01:37:16Z
dc.date.issued1993-10
dc.identifier.citation物理学报,1993(10):1635-1641zh_CN
dc.identifier.issn1000-3290
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/9812
dc.description.abstract【中文摘要】 基于Linearized-Muffin-Tin Orbitals(LMTO)能带方法,采用内部求和计入空d轨道的处理,对(InAs)_n(InP)_n(001),(n=1,2,3)应变层超晶格的电子结构进行了第一性原理计算。得出了其能带结构,态密度分布(对n=1)。考察了In 4d轨道对能带计算的影响,并采用冻结势方法求出了(InAs)_n(InP)_n(001),(n=1,2,3)的价带边不连续值△E_v。结果表明在该系统中,体性质在紧靠界面的分子层中就得到恢复。本文得出的(InAs)_1(InP)_1(001)系统的价带结构与大计算量的线性缀加平面波(FLAPW)方法的结果相当一致。本义得出的△E_v值与用芯态能级和平均静电势作为参考能级的FLAPW计算以及实验值有很好的一致性。由于本文方法只需很小的计算量且有较好的精度,对于多层应变层超晶格电子结构的研究将是有效的方法。 【英文摘要】 The electronic structure of strained superlattices (SLS) (InAs)n(InP)n(001) are calculated with the Linearized-Muffin-Tin Orbitals (LMTO) band structure method in which the higher energy unoccupied d orbitals are treated by internal summation approach. The effects of In 4d orbitals on band structures are investigated. The valence band offsets (ΔEV) at SLS's are determined by a frozen-potential approach. The results show the bulk-like property is almost recovered in the molecular layers next to the interface...zh_CN
dc.description.sponsorship国家自然科学基金;福建省自然科学基金zh_CN
dc.language.isozhzh_CN
dc.publisher《物理学报》编辑部zh_CN
dc.title应变层超晶格(InAs)_n(InP)_n(001)电子结构的LMTO计算zh_CN
dc.title.alternativeELECTRONIC STRUCTURE OF STRAINED SUPERLATTICES (InAs)_n(lnP)n(00l):ab initio LMTO CALCULATIONzh_CN
dc.typeArticlezh_CN


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record