单对对启用多态性和光结构变化在基体玻璃中的变化
Alexander V Kolobov1, Vladimir G Kuznetsov2, Milos Krbal3
1Institute of Physics, Herzen State Pedagogical University of Russia, 48 Moïka Emb., St. Petersburg 191186, Russia.
Materials (Basel, Switzerland)
|October 14, 2023
概括
炭化物眼镜表现出独特的照片诱导效应. 这项研究表明,多态转换,特别是对四胺结构的转换,显著减少了三硫化物 (As2S3) 眼镜中的光带间隙.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 光子学 是一个光子学.
背景情况:
- 基于硫和的石墨烯酸玻璃是一种转移性材料.
- 它们表现出独特的光学诱导效应,如可逆光结构变化和光学诱导的异构性.
- 这些现象通常是由价值交替对和"错误"的债券来解释的.
研究的目的:
- 为了研究多态转换对石化玻璃光波段间隙的影响.
- 探索这些材料中因光引起的变化背后的结构机制.
- 为在光子设备中应用石化玻璃提供一个新的视角.
主要方法:
- 使用密度函数理论 (DFT) 模拟.
- 这项研究以三硫化 (As2S3) 为例.
- 分析包括检查局部结构转换及其电子特性.
主要成果:
- 观察到As2S3的光波段间隙显著减少.
- 这种下降与从orpiment到tetradymite局部结构的多态转变有关.
- 形成四二胺结构需要在近线性原子配置中单双电子.
结论:
- 多态性是理解石化玻璃中光学诱导的结构变化的关键因素.
- 已识别的结构转变为调整光学特性提供了一个新的机制.
- 这些发现可能会加强在各种光子应用中使用石化玻璃的应用.
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