通过空位和化学顺序没有反向对称的极性氧化物
Joshua Young1,2, Eun Ju Moon1, Debangshu Mukherjee3
1Department of Materials Science and Engineering, Drexel University , Philadelphia, Pennsylvania 19104, United States.
Journal of the American Chemical Society
|February 7, 2017
概括
研究人员通过精确地在薄膜中排列原子来创造新的极性材料. 这种晶体化学设计方法使用阴离子和阴离子排序来产生具有原始化合物中未发现的独特性质的新结构.
科学领域:
- 材料科学
- 固态化学
- 晶体学
背景情况:
- 材料的发现通常涉及混合化合物,其特性通常跟随组件的平均值.
- 在过渡金属氧化物 (TMO) 中,纳米结构可以创建新的多态和特性.
- 数字纳米结构为设计材料提供了一条超出构成性质的途径.
研究的目的:
- 开发一种晶体化学设计策略,用于创建缺乏反向对称性的数字TMO.
- 使用周期性阴离子空位顺序和阴离子顺序来实现极性结构.
- 使用中心对称的棕矿TMO来证明这种方法.
主要方法:
- 为数字TMO制定一个晶体化学设计方法.
- 表面膜 (SrFeO2.5) 1 / CaFeO2.5) 1 薄膜超晶格的合成.
- 使用基于同步射线的衍射和偏差校正的电子显微镜进行表征.
- 对称分析和密度函数理论计算.
主要成果:
- 成功实现了以亚纳米离子空位和阴离子顺序的表轴超网.
- 证实了Sr/Ca化学顺序和离子空位顺序的存在.
- 证明了A位点阳离子排序打破了反向对称性,产生了极性结构.
- 表明纳米级排序产生与原始化合物不同的非中心结构.
结论:
- 对离子和离子顺序的纳米级控制使得无中心TMO的设计成为可能.
- 这种策略产生了在散装成分中不存在的特性.
- 开辟了基于结构的新功能材料设计的新途径.
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