在高压下,Ca2SnO4,Sr2SnO4和Zn2SnO4的高压行为
Simone Anzellini1, Daniel Diaz-Anichtchenko1, Josu Sanchez-Martin1
1Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, Edificio de Investigación, Carrer del Dr. Moliner 50, 46100 Burjassot, Valencia, Spain.
The journal of physical chemistry. C, Nanomaterials and interfaces
|January 31, 2024
概括
高压研究显示,Sr2SnO4在9.09GPa时经历相变,而Ca2SnO4和Zn2SnO4保持稳定. 这项研究阐明了压力下M2SnO4酸的结构性行为.
科学领域:
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
- 高压物理 高压物理
背景情况:
- 对于材料科学来说,了解金属酸的高压行为至关重要.
- 之前对Zn2SnO4的研究显示了关于相位过渡的相互矛盾的结果.
- Ca2SnO4,Sr2SnO4和Zn2SnO4是M2SnO4酸盐家族的成员.
研究的目的:
- 为了研究Ca2SnO4,Sr2SnO4和Zn2SnO4的压力诱导的结构演变.
- 解决有关 Zn2SnO4.4 的高压稳定性的文献上的差异.
- 为了提供一个全面的分析这些stannates的可压缩性和弹性特性.
主要方法:
- 使用同步辐射,粉末X射线衍射 (PXRD) 高达20 GPa.
- 密度函数理论 (DFT) 的计算.
- 分析晶体轴的线性压缩性和压力-体积状态方程.
主要成果:
- 在020 GPa压力范围内,Ca2SnO4和Zn2SnO4没有表现出相位过渡.
- Sr2SnO4在9.09 GPa时从四边形 (I4/mmm) 转变为不同的四边形多态 (P42/ncm).
- 对所有三种化合物来说,确定了线性压缩性,压力-体积数据,弹性常数和散装模量.
结论:
- 该研究证实了Ca2SnO4和Zn2SnO4在高压下的稳定性,解决了文献冲突.
- 在Sr2SnO4.4中发现了一种新的高压四角形相.
- 这些发现有助于系统地了解M2SnO4干的高压行为和机械性能.
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