中文摘要：

钙钛矿结构氧化物界面因其独特的强关联性质引起研究者的广泛关注。首先以SrTiO3／LaAlO3体系为例介绍了氧化物界面二维电子态独特的强关联性质，以及形成二维电子态的两种物理机制——“极化灾难”与氧缺陷理论；然后综述了SrTiO3／LaAlO3体系界面密度泛函理论计算的研究现状，包括3种计算模型的构建、界面处的能带偏移与电子分布、界面附近的离子弛豫及其对电子结构的影响等；最后简要介绍了其他钙钛矿结构氧化物界面体系，并展望了其发展前景。

英文摘要：

Recently perovskite oxide interface is paid more and more information because of its fasinating pro-perties. The progress of this new research field is reviewed. Firstly, SrTiO3/LaAlOa （STO/LAO） interface is taken as an example as this structure is the most thorough studied, and the formation mechanism of the two-dimensional electronic states is briefly introduced. Then the modeling, electronic structure and ion relaxation of STO/LAO inter- face, which are obtained by the density functional theory calculations, are reviewed. Finally, other perovskite oxide interface systems other than STO/LAO are briefly introduced.