报告题目：Computational study of band structure engineering and anharmonic lattice dynamics

报告人：Yue Chen (陈粤)

　　　　Department of Mechanical Engineering, the University of Hong Kong

报告时间：2019年3月5日（星期二）上午9:00

报告地点：前卫南区 唐敖庆楼C区603报告厅

报告摘要：

　　Emerging materials with novel properties attract increasing research interest due to their potential applications in various important fields of engineering. The electrical and thermal transport properties of materials may be optimized via the engineering of the electronic structures and lattice dynamics. In-depth understanding of materials in the electronic and atomistic levels is, therefore, of great significance. Despite the difficulties in experimental characterizations of detailed band dispersions and phonon spectra, computational study provides an alternative way for obtaining important understanding of material properties in a deep level. In this presentation, I will discuss about the electronic band structures of the IV-VI compounds, which have potential applications in thermoelectric and photovoltaic devices. The effects of dopants and external strains on the band structures will be thoroughly discussed. In a different topic, I will focus on the calculations of phonon lifetimes of materials using the mode decomposition technique in combination with molecular dynamics simulations and the perturbation theory. The manipulation of phonon scattering via external strain will also be discussed.

报告人简介:

　　Yue Chen is an Assistant Professor in Department of Mechanical Engineering at the University of Hong Kong. He studied at Oxford University and Beihang University, and obtained his PhD degree in 2010. Before joining HKU, he was a Postdoctoral Research Scientist at Columbia University in the City of New York and a T. S. Kê Postdoctoral Research Fellow at Institute of Metal Research, CAS.

举办单位：36365线路检测中心

　　　　　超硬材料国家重点实验室

　　　　　计算物理方法与软件创新中心

　　　　　吉林省物理学会