2012/06/07，缑高阳应邀在苏州大学物理系,江苏省薄膜材料实验室作学术报告

Time: June 7th

Address: 苏州大学物理系,江苏省薄膜材料实验室

Topic: Predicting the ferroic and electronic properties of ABO3 perovskite oxides by ab-initial method

Abstract: ABO₃ Perovksite oxides can display a variety of fascinating properties, including ferroelectricity, large piezoelectric and dielectric responses, as well as high-temperature superconductivity. Chemical and structural complexity of Perovskite oxide has proved to be the critical factor in producing these properties. First principles approaches, on the basis of density functional theory (DFT), allow accurate, quantitative predictions of material properties using only its chemical composition and structure as input. In my presentation, I will use a combination of first principle methods, phenomenological models, symmetry principles, and crystal chemistry to design the new functional oxide materials for experimental study, as well as simulate and understand known experiment results about Perovksite oxides.

   My presentation will include: (i) band gap engineering of complex ferroelectric oxides for photovoltaic application; (ii) investigate the structural phase-transition and electron-lattice coupling mechanism in the correlated metal LaNiO₃.