选择性单一兴奋剂和联合兴奋剂在A/B地点对KNbO3中铁电和压电电的影响
Yuting Peng1, Zhi Tan2, Jianguo Zhu2
1Department of Physics, University of Texas at Arlington, Arlington, Texas 76019, USA.
离子兴奋剂通过修改结构和铁电特性,显著增强酸 (KN) 陶中的压电特性. 特定的A位点和B位点剂,以及coddoping,可以明显提高压电性能.
科学领域:
- 材料科学 材料科学 材料科学
- 固态物理 固态物理
- 计算材料科学科学 计算材料科学
背景情况:
- 酸陶对于压电应用至关重要.
- 了解离子兴奋剂机制是优化压电特性的关键.
- 酸 (KN) 是一个有前途的无压电材料.
研究的目的:
- 调查A和B位离子兴奋剂对KNbO3.3的结构,铁电和压电性能的影响.
- 探索单和共对压电系数的影响.
- 阐明兴奋剂诱导的压电增强的潜在机制.
主要方法:
- 使用密度函数理论 (DFT) 的计算.
- 模拟了结构,铁电和压电性能.
- 针对各种兴奋剂场景计算了指向平均压电系数 (d̄15*,d̄31*,d̄33*).
主要成果:
- 使用Na,Cs和Ca的A位点兴奋剂增强了压电.增强了压电.
- 用V,Ta,Ti,Bi和Sb对B位点进行兴奋剂,提高了压电性能.
- 与 (Na,Sb) 和 (Ba,Zr) 的共显著提升了压电,超出了单和纯KN.
结论:
- 离子兴奋剂是定制KNbO3.3.中的压电性能的一个关键策略.
- 特定的兴奋剂和辅助兴奋剂组合提供了通往优质压电材料的途径.
- 兴奋剂影响能源格局,导致矿铁电器中增强的压电反应.
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