报告题目Title：First-principles density functional theory investigation of materials properties at interfaces （界面材料性质的第一原理密度泛函理论计算）
报 告 人Speaker：Mighfar Imam （意大利ICTP）
报告时间Time：2016年5月18日(周三)10:00
报告地点Venue：校本部E106会议室（永利量子与分子结构国际中心SHU ICQMS）
邀 请 人Host：任伟教授
报告摘要Abstract：
Title: First-principles density functional theory investigation of materials properties at interfaces
Abstract: In this talk I will present ab initio studies of the structural and
Electronic properties of some of the most interesting materials of future technological applications. I will highlight the importance of first-principles studies in providing valuable information and insight into the microscopic picture behind experimentally observed behavior through our recent calculations on two different systems: (1) noble-gas
nanobubbles trapped between graphene-Ir(001) interface, and (2) multiferroic-ferromagnetic interface in BiFeO_3/La_x_Sr_1-x_MnO_3 (BFO/LSMO) heterostructure. In the case of nanobubbles, it will be shown that the graphene-metal substrate system forces the trapped Ar atoms to ultrahigh pressures (GPa range). For the BFO/LSMO system, the effect of polarization
on the interface magnetic ordering will be discussed.
