[7a-A202-1~8] 6.3 Oxide electronics

[7a-A202-5] Development of structure analysis method of perovskite-type oxide thin film from surface X-ray scattering data

〇(D)Masato Anada¹, Yoshinori Nakanishi-Ohno², Masato Okada³, Tsuyoshi Kimura³, Yusuke Wakabayashi¹ (1.Osaka Univ. (Engineering Science), 2.The Univ. of Tokyo (Arts and Sciences), 3.The Univ. of Tokyo (Frontier Science))

Keywords:Perovskite type oxide thin films, CTR scattering, Developing analysis software

Structural information of the interfaces between perovskite oxides is vitally important to understand and control the functionality of oxide devices. For better control of interfacial structures, quick and user-friendly analyzing techniques for heterostructures are demanded. Crystal truncation rod (CTR) scattering method, which is one of the surface X-ray diffraction methods, can provide the depth profile of the structure around the surface with sub- Å resolution. Although there are various ways to solve the phase problem have been proposed , the large number of structural parameters hampers us from obtaining a conventional method to provide the interfacial structure. Therefore, we have developed a convenient software to obtain the atomic arrangement of perovskite-type oxide thin films based on the reverse Monte-Carlo (RMC) method. The software can provide the wide acceptance of the initial model to converge to the global minimum of the \{Chi}². The probability density of the interfacial structure, which contains atomic position and occupancy for each site, is estimated by the Bayesian inference. This method automatically provides the standard deviation of obtained structural parameters. In this presentation, we will report on the construction method of structure models of surface or interface and the accuracy of it.