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Structural study of amorphous In_2O_3 film by grazing incidence X-ray scattering (GIXS) with synchrotron radiation

机译:同步辐射对掠入射X射线散射(GIXS)研究非晶In_2O_3薄膜的结构

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Grazing incidence X-ray scattering (GIXS) using synchrotron radiation is a very useful method for structural analysis of amorphous films. We investigated the structure of amorphous In_2O_3 film utilizing GIXS at BL19B2 in SPring-8. Radial distribution function (RDF) was obtained from the measurement data. Structural models were constructed by molecular dynamics (MD) and reverse Monte-Carlo (RMC) simulations, and the calculated RDFs from the simulations were compared with that observed. It was found that the average oxygen coordination number around In ions was almost 6 and the average length 2.12 A, which was smaller by about 3% than that of 2.18 A in crystalline In_2O_3. It was concluded that the atomic arrangement of the amorphous In_2O_3 was characterized by the increase in the number and the boarder angle of distribution of corner-Sharing In-O-In bond compared with crystalline In_2O_3.
机译:使用同步加速器辐射的掠入射X射线散射(GIXS)是用于非晶膜结构分析的非常有用的方法。我们在SPring-8中使用BL19B2的GIXS研究了非晶In_2O_3薄膜的结构。从测量数据获得径向分布函数(RDF)。通过分子动力学(MD)和反向蒙特卡洛(RMC)模拟来构建结构模型,并将从模拟中计算出的RDF与观察到的进行比较。发现In离子周围的平均氧配位数几乎为6,平均长度为2.12 A,比晶体In_2O_3的2.18 A小约3%。结论是,与晶体In_2O_3相比,无定形In_2O_3的原子排列特征在于角共享In-O-In键的数量和边界分布角的增加。

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