.png){kind=icon}
返回
Nonspherical atomic effective pseudopotentials for surface passivation
.png){kind=icon}
PRE
AI
DOI：10.1103/PhysRevB.94.205417.png)
.png){kind=icon}
原文求助.png){kind=icon}
分享.png){kind=icon}
收藏
摘要
En 中文
We present a method to extract accurate pseudopotentials for surface passivants, within the framework of the atomic effective pseudopotential method. We retain the imaginary part of the pseudopotential in the construction procedure. This imaginary component in reciprocal space translates into a nonspherical component in real space. This asphericity allows to model surface dipoles and their ensuing band offsets. We show that these surface effects need to be taken into account to model electronic properties of quantum dots accurately-which requires to go beyond the spherical potential approximation for the passivant/surface atoms. The good level of transferability, without additional computational costs, is demonstrated for Si, CdSe, and InP nanostructures. The results are directly compared to large-scale density functional theory calculations.
Keyword:
QUANTUM DOTS
NANOCRYSTALS
EMISSION
AI总结
对已上传原文的论文进行重点信息的提取，主要内容包括：简要概述、研究摘要、背景介绍、关键亮点、图文解析、展望与总结。
期刊
IF:
3.7
论文数:
15.4W
被引数:
41.0W
机构
引用论文
A numerical investigation of coorbital stability and libration in three dimensions三维共轨道稳定性和振动的数值研究
OAAI
OAAI分享收藏Child development assessment tools in low-income and middle-income countries: how can we use them more appropriately?低收入和中等收入国家的儿童发展评估工具: 我们如何更适当地使用它们？OAAI
OAAI分享收藏分享收藏Anisotropy of interband transitions in InAs quantum wires: An atomistic theory.png)
PHYSICAL REVIEW BOAAI
PHYSICAL REVIEW BIF3.7
OAAI分享收藏
查看更多内容