%0 Journal Article
%T In掺杂SrTiO<sub>3</sub>导电薄膜光学性质的第一性原理研究<br>Investigation of Optical Properties of In-Doped SrTiO<sub>3</sub> Conducting Films by First-Principles
%A 房丽敏
%A 赵可沦
%J Material Sciences
%P 92-102
%@ 2160-7621
%D 2015
%I Hans Publishing
%R 10.12677/MS.2015.53014
%X <div style=\"text-align:justify;\">
	<span style=\"line-height:1.5;\">p型掺杂SrTiO<sub>3</sub>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SrTiO<sub>3</sub>/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SrTiO<sub>3</sub>导电薄膜的相关实验现象。研究发现，In掺杂SrTiO<sub>3</sub>/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。&lt;br/&gt;It is well known that p-type doped SrTiO<sub>3</sub> 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 SrTiO<sub>3</sub>/MgO(001) interface system with the explanations of the related experiment phenomena. It is found that the optical properties of In doped SrTiO<sub>3</sub>/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.</span><span style=\"line-height:1.5;\"></span>
</div>
%K 第一性原理，光学性质，导电薄膜，掺杂，界面<br>First-Principles
%K Optical Properties
%K Conducting Films
%K Doped
%K Interface
%U http://www.hanspub.org/journal/PaperInformation.aspx?PaperID=15241