Morozovska Anna N, Eliseev Eugene A, Karpinsky Dmitry V, Silibin Maxim V, Vasudevan Rama, Kalinin Sergei V, Genenko Yuri A
Institute of Physics, National Academy of Sciences of Ukraine, 46, pr. Nauky, Kyiv, 03028, Ukraine.
Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, Krjijanovskogo 3, Kyiv, 03142, Ukraine.
Sci Rep. 2020 Dec 24;10(1):22377. doi: 10.1038/s41598-020-79482-w.
Ordering of mobile defects in functional materials can give rise to fundamentally new phases possessing ferroic and multiferroic functionalities. Here we develop the Landau theory for strain induced ordering of defects (e.g. oxygen vacancies) in thin oxide films, considering both the ordering and wavelength of possible instabilities. Using derived analytical expressions for the energies of various defect-ordered states, we calculated and analyzed phase diagrams dependence on the film-substrate mismatch strain, concentration of defects, and Vegard coefficients. Obtained results open possibilities to create and control superstructures of ordered defects in thin oxide films by selecting the appropriate substrate and defect concentration.
功能材料中移动缺陷的有序排列可产生具有铁电和多铁性功能的全新相。在此,我们针对应变诱导的薄氧化物薄膜中缺陷(如氧空位)的有序排列,开发了朗道理论,同时考虑了可能不稳定性的有序性和波长。利用推导得出的各种缺陷有序态能量的解析表达式,我们计算并分析了相图对应变的依赖性,该应变源于薄膜 - 衬底失配、缺陷浓度和维加德系数。所得结果为通过选择合适的衬底和缺陷浓度来创建和控制薄氧化物薄膜中有序缺陷的超结构开辟了可能性。