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Surface/interface stability and modifications in compound semiconductors, new algorithm and applications

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报告题目   Surface/interface stability and modifications in compound semiconductors, new algorithm and applications
报告人   朱骏宜 教授
报告人单位   Department of Physics The Chinese University of Hong Kong
报告时间   2017-08-14
报告地点   合肥微尺度物质科学国家实验室九楼会议室(9004)
主办单位   合肥微尺度物质科学国家实验室、国际功能材料量子设计中心(ICQD)
报告介绍
Abstract:
In this talk, I'll briefly introduce the recently developed algorithm of nonsymmetric polar surface and interface formation energy in compound semiconductors. Our new approach improved the accuracy for roughly one order of magnitude. With this new algorithm, we are able to predict the stability of various compound semiconductor surfaces, hetero structures, and grain boundaries and new surface modification schemes, such as surfactants, are proposed in III-V and II-VI energy materials.

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