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dc.contributor.author柯三黄
dc.contributor.author黄美纯
dc.contributor.author王仁智
dc.date.accessioned2011-06-22T01:10:08Z
dc.date.available2011-06-22T01:10:08Z
dc.date.issued1995-07
dc.identifier.citation物理学报,1995(7):1129-1136zh_CN
dc.identifier.issn1000-3290
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/9708
dc.description.abstract【中文摘要】 采用内部求和d轨道处理下的线性丸盒轨道方法,对在GaAs衬底上生长的应变层越晶格(InAs)_n/(GaAs)_n(001),(n=1,2,3,4,5)的电子结构进行了第一性原理计算,得出了其能带结构、带隙值和态密度分布.本文得出的(lnAs)_1(GaAs)_1在布里渊区中各高对称点的能隙值与从头赝势方法的计算结果相一致,得出的带隙值与光致发光实验结果符合得很好.为了确定该系统的价带能量不连续值(△E_(?)),并全面考虑各因素对其的影响,本文提出一种基于自治超原胞计算及其冻结势处理下的形变势方法.该方法全面考虑了界面电荷转移(及其引起的偶极子势)和弹性应变以及自旋-轨道相互作用三方面的因素对△E_(?),值的影响.本文得出的InAs/GaAs系统的△E_(?)值为—0.201eV,与X射线光电子能谱的测量值—0.17±0.07eV相一致. 【英文摘要】 This paper reports an ab initio study on electronic structures of strained-layer superlattices (SLS's) (InAs)n/(GaAs)n(001), (n= 1,2,3,4,5) grown epitaxially on a GaAs-substrate, by mea ns of the linearized-muffin-tin-orbitals band structure method in an internal summation treatment for d orbitals. Present results of the energy gap values at high symmetry points in Brillouin zone for (InAs)l(GaAs)1 are consistent with those obtained by ab initio pseudopotential calculations. The band gaps given by this work...zh_CN
dc.description.sponsorship福建省自然科学基金;国家自然科学基金资助的课题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/(GaAs)_n的电子结构与价带能量不连续性zh_CN
dc.title.alternativeTHEORETICAL STUDIES ON ELECTRONIC STRUCTURES AND VALENCE-BAND DISCONTINUITY FOR STRAINED-LAYER SUPERLATTICES (INAs)_n/(GaAs)_nzh_CN
dc.typeArticlezh_CN


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