王大珩讲坛（校庆系列讲座）--Stability of Asymmetric
In this talk, I’ll briefly introduce our recent development of the new algorithm on the calculations of absolute formation energy of asymmetric polar/semipolar surfaces, interfaces, and edges of compound semiconductors. The new algorithm improved the accuracy of the formation energy for an order of magnitude comparing with the standard wedge method. Based on this new algorithm, the surface, interface, grain boundary formation energy, and the wetting condition of heterostructures can be estimated accurately. Further, a new strategy based on surfactant H tuning of GaN on ZnO substrate is proposed. In the end, with a proper estimation of H passivation and entropy effects, the equilibrium shapes of BN nano clusters are correctly obtained. We found that only when accurate algorithm, H passivation, and temperature effects are all considered, can the correct equilibrium shape of BN nano cluster be obtained.
活动时间：
2019-04-24 15:00
主讲人：高峻峰
