在多温度单晶X射线衍射研究中,在相位过渡时罗歇尔盐的结构变化被重新审视
Svetlana S Sharaya1, Boris A Zakharov1, Elena V Boldyreva1
1Novosibirsk State University, Pirogova 1, Novosibirsk, 630090, Russian Federation.
概括
这项研究使用X射线衍射重新审视了罗歇尔盐中的相变. 这些发现表明,高温和低温的电相在结构上是相同的,仅因温度而异.
科学领域:
- 固态化学 固态化学
- 晶体学 晶体学是指结晶学.
- 材料科学是一种材料科学.
背景情况:
- 罗歇尔盐在平电和铁电状态之间表现出复杂的相位过渡.
- 了解这些转变对于材料科学应用至关重要.
研究的目的:
- 用多温度单晶X射线衍射重新检查罗歇尔盐中的相变.
- 为了比较结构模型和分析原子位移参数.
主要方法:
- 单晶X射线衍射在一个温度范围内进行 (100308 K).
- 使用和 (有/没有混乱) 和非和模型的结构改进.
- 对异构位移参数 (ADP) 和Ueq.的分析.
主要成果:
- 确定了K1原子在低温准电相中的动态乱.
- 高温和低温的电相具有结构上的相似性.
- 首次比较来自同一晶体的两种PE相在多种温度下的结构.
结论:
- 罗歇尔盐的高温和低温电相在不同的温度下可能是相同的相.
- 这挑战了以前关于不同阶段的假设.
- K1原子的动态混乱是低温PE阶段的一个关键特征.
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