埋置量子点应力分布的有限元分析

通过衬底材料和外延材料的交替生长方式制备出多层排列的自组装量子点超晶格结构.这些埋置量子点的应力/应变场影响着它们的光电性能、压电性能以及力学稳定性.基于各向异性弹性理论的有限元方法,研究了埋置金字塔形应变自组织Ge/Si半导体量子点的应力/应变分布以及流体静应变和双轴应变分布,并与非埋置量子点的应力/应变分布做了比较,指出了它们之间的异同以及覆盖层对量子点应力/应变分布的影响. 关键词： 量子点 应力分布 应变分布     

Finite element analysis of stress and strain distributions in InAs/GaAs quantum dots

In this paper, we perform systematic calculations of the stress and strain distributions in InAs/GaAs truncated pyramidal quantum dots (QDs) with different wetting layer (WL) thickness, using the finite element method (FEM). The stresses and strains are concentrated at the boundaries of the WL and QDs, are reduced gradually from the boundaries to the interior, and tend to a uniform state for the positions away from the boundaries. The maximal strain energy density occurs at the vicinity of the interface between the WL and the substrate. The stresses, strains and released strain energy are reduced gradually with increasing WL thickness. The above results show that a critical WL thickness may exist, and the stress and strain distributions can make the growth of QDs a growth of strained three-dimensional island when the WL thickness is above the critical value, and FEM can be applied to investigate such nanosystems, QDs, and the relevant results are supported by the experiments.     

嵌入原子法研究Ni3Al中点缺陷以及Re择优占位和集团化

基于纯金属元素Ni，Al和Re的基本物理性质，建立了一个Ni-Al-Re三元体系的分析型嵌入原子多体势.结合分子动力学计算了Ni₃Al的平衡晶格常数、弹性模量、结合能、空位形成能以及反位置缺陷形成能，并分析了Ni₃Al中点缺陷的存在形式.计算结果表明，当成分偏离理想化学配比时出现反位置缺陷.同时研究了Re在Ni₃Al中的择优占位以及Re在Ni₃Al和Ni中的集团化行为.计算结果表明，Re在Ni₃Al中优先置换Al的位置，且发现当Re原子团的尺寸接近于11?时，Re原子团的长大趋势变弱.计算结果与实验以及其他的理论计算结果相符合. 关键词： 嵌入原子势 3Al')" href="#">Ni₃Al Re 占位 集团化