Download file (2.47MB)
Download as zip (1.94MB)

コレクション

引用

説明:

The structural properties and thermal stability of Si-doped amorphous indium oxide (ISO) were investigated via experimental characterization and computational modeling techniques. The total structure factors, S(Q), and reduced pair distribution functions, G(r), were calculated for both annealed and pristine ISO samples, revealing the distinct structural features induced by Si doping and thermal treatment. Although the pristine ISO samples exhibited hollow patterns indicative of an amorphous structure, annealing at 600°C led to pronounced Bragg peaks, suggesting that the sample was crystallized. However, an ISO with a higher Si content (20 at.%) retained its amorphous structure even after annealing, highlighting the role of Si-doping in enhancing the thermal stability. Classical molecular dynamics–reverse Monte Carlo simulations were employed to elucidate the structure of pristine ISO samples, revealing good agreement with the experimental data. Furthermore, the partial structure factors, Sij(Q), and partial pair distribution functions, gij(r) demonstrate the influence of Si doping on atomic correlations and density changes in the ISO. Polyhedral connectivity analysis suggests that the fraction changes of edge sharing due to Si doping affect the thermal stability of ISO and that SiO4 tetrahedra play a crucial role in inhibiting crystallization.

権利情報:

• Creative Commons BY Attribution 4.0 International
  

キーワード: Amorphous indium oxide,, X-ray diffraction, Molecular dynamics simulation, Reverse Monte Carlo, Topological analysis, Thermal stability

刊行年月日: 2025-10-21

出版者: Springer Science and Business Media LLC

掲載誌:

• Scientific Reports (ISSN: 20452322) vol. 15 issue. 1 36662

研究助成金:

• Japan Society for the Promotion of Science 24K17502

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.1038/s41598-025-20384-0

関連資料:

その他の識別子:

連絡先:

更新時刻: 2025-10-24 08:30:19 +0900

MDRでの公開時刻: 2025-10-24 08:18:42 +0900