"兄弟双胞胎"铁电:从第一原理开始,在化的萨马尼基酸盐中具有竞争性的极地状态
Michele Kotiuga1, Karin M Rabe2
1Theory and Simulation of Materials (THEOS), École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland.
概括
用剂合的尼基酸 (SNO) 呈现出独特的铁电切换. 尼克尔原子之间的电子转移,而不是对称切换,驱动着极化,创造了一个
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
背景情况:
- 铁电材料通过电场在极态之间切换.
- 尼基酸盐 (SNO) 是一种具有潜在铁电性质的材料.
- 兴奋剂可以显著改变材料的特性.
研究的目的:
- 为了研究化的萨马尼基酸盐 (SNO) 的铁电切换行为.
- 了解气在开关机制中的作用.
- 为了探索非传统的铁电状态.
主要方法:
- 使用了第一原则计算.
- 该研究的重点是SNO,其度为1/4的.
- 对极化切换的能量障碍进行了分析.
主要成果:
- 一个不可逾越的能量屏障阻止了传统的对称性切换在化的SNO.
- 一个低能量屏障允许电子转移到邻近的NiO八面体.
- 这种电子转移在表轴应变下导致显著的极化变化.
结论:
- 用添加的SNO显示了一种非常规的铁电开关机制.
- 这种机制涉及电子转移,而不是对称逆转.
- 由于其独特的行为,该材料被称为"兄弟双胞胎"铁电.
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