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- W2597872188 abstract "摘要 对三种不同晶面（（１００），（１１０）和（１１１））的超晶格（ＡｌＡｓ）1（ＧａＡｓ）1，（ＡｌＡｓ）3（ＧａＡｓ）3的电子结构进行了第一性原理的计算，采用冻结势万法系统地分析了在不同的晶向和不同的周期层厚度的情况下，超晶格界面处的电荷转移、平均键能的对齐行为和价带边的不连续性。进一步从第一性原理的数值计算上检验了以平均键能为能量参考的异质界面价带边不连续性的理论计算方法。 Abstract The electronic structures of the three lattice-orientation (i.e.,(110),(100) and (111))superlattices (AlAs)1(GaAs)1,(AlAs)3(GaAs)3 are studied with the linearized-muffin-Tin-orbitals band-structure method. The frozen shape approach is adopted to investigate the charge transfer across the interfaces, the alignment of age-bond-energy(ABE) and the valence-band offsets (VBO) under the conditions of different latticeorientations and different thickness of superlattice slab. The ABE method for determining the VBO's, in which the ABE is regarded as a energy reference, is further comprehensively tested numerically. 作者及机构信息 王仁智, 柯三黄, 黄美纯 1. 厦门大学物理系 基金项目: 国家自然科学基金和福建省自然科学基金资助的课题. Authors and contacts WANG REN-ZHI, KE SAN-HUANG, HUANG MEI-CHUN 1. 厦门大学物理系 参考文献 施引文献" @default.
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- W2597872188 title "AVERAGE-BOND-ENERGY BEHAVIOUR AT THE INTERFACES OF DIFFERENT LATTICE-ORIENTATION AND THICKNESS SUPERLATTICES" @default.
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