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

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 (2015) In掺杂SrTiO3导电薄膜光学性质的第一性原理研究。 材料科学, 5, 92-102. doi: 10.12677/MS.2015.53014

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