Point defect equilibrium in strontium titanate thin films
Point defect equilibrium in strontium titanate thin films
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钛酸锶薄膜中的点缺陷平衡
DOI：
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发表时间：
2001
期刊：
影响因子：
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通讯作者：
P. McIntyre
中科院分区：
文献类型：
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作者：
P. McIntyre
对含受体杂质SrTiO3薄膜的点缺陷和电子载流子分布进行了平衡计算。模拟方法基于先前的受体掺杂SrTiO3陶瓷近晶界点缺陷平衡的计算。重点研究了温度和Pt电极界面的存在对缺陷平衡条件的影响。在不同的模拟平衡条件下，对不同厚度薄膜的局部静电势和氧空位分布进行了预测。分析了氢掺杂的影响，并将模拟平衡电位分布与Pt/SrTiO3和Pt/(Ba, Sr)TiO3薄膜结构的光电子能谱研究结果进行了比较。
Equilibrium calculations of point defect and electronic carrier distributions in acceptor impurity-containing SrTiO3 thin films were performed. The simulation methodology was based on previous calculations of near-grain boundary point defect equilibrium in acceptor-doped SrTiO3 ceramics. Attention was focused on the effects of temperature and the presence of Pt electrode interfaces on the conditions for defect equilibrium. The local electrostatic potential and the distribution of oxygen vacancies across films of varying thickness were predicted for various simulated equilibration conditions. The effects of hydrogen doping were analyzed, and simulated equilibrium potential distributions were compared to the results of reported photoelectron spectroscopy studies of Pt/SrTiO3 and Pt/(Ba, Sr)TiO3 thin film structures.