In掺杂SrTiO3导电薄膜光学性质的第一性原理研究
Investigation of Optical Properties of In-Doped SrTiO3 Conducting Films by First-Principles
DOI: 10.12677/MS.2015.53014, PDF, HTML, XML,  被引量 下载: 2,243  浏览: 9,792  科研立项经费支持
作者: 房丽敏：广东省第二师范学院物理系，广东 广州 ；赵可沦：华南理工大学机械与汽车工程学院，广东 广州
关键词: 第一性原理；光学性质；导电薄膜；掺杂；界面；First-Principles； Optical Properties； Conducting Films； Doped； Interface
摘要: p型掺杂SrTiO3材料成功用于研制蓝光波段发光二极管、高透明导电薄膜和钙钛矿氧化物光电子器件。本文采用第一性原理平面波赝势方法对In掺杂SrTiO3/MgO(001)界面体系的电子结构与光学性质进行了计算研究，系统分析了In原子相对界面位置及浓度的变化对其光学性质的影响，并解释了In掺杂SrTiO3导电薄膜的相关实验现象。研究发现，In掺杂SrTiO3/MgO(001)界面体系的光学性质，不仅与In原子相对界面的位置有关，并且与In原子浓度密切相关。
Abstract: It is well known that p-type doped SrTiO3 can successfully be applied in semiconductor diodes in a blue-light region, transparent conductive films and perovskite-oxides hetero-junction optical- electric devices. First-principles plane-wave pseudopotential (PWPP) calculations have been per-formed to investigate the electronic structure and optical properties of In-doped SrTiO3/MgO(001) interface system with the explanations of the related experiment phenomena. It is found that the optical properties of In doped SrTiO3/MgO(001) interface are dependent not only on the concen-tration of In atoms but also on the relative positions of the In atoms to the interface.
文章引用：房丽敏, 赵可沦. In掺杂SrTiO3导电薄膜光学性质的第一性原理研究[J]. 材料科学, 2015, 5(3): 92-102. http://dx.doi.org/10.12677/MS.2015.53014

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