调整电子和音声状态,在无序的晶体中隐藏秩序
Nikolaj Roth1, Andrew L Goodwin2
1Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, Oxford, UK. nikolajroth@gmail.com.
Nature communications
|July 19, 2023
概括
晶体中隐藏的秩序,虽然不能通过标准方法发现,但会显著影响材料的特性. 控制这种隐藏的顺序提供了一种调整电子和音频带结构的新方法,影响材料特性.
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
- 晶体学 晶体学是指结晶学.
背景情况:
- 晶体障碍通常表现出局部相关性,而不是随机分布.
- 这种"隐藏的秩序"对物质属性的性质和影响尚不清楚.
- 传统的结晶学探测器无法检测到这些隐藏的相关性.
研究的目的:
- 研究不同类型的隐藏顺序如何影响晶体中的电子和音频带结构.
- 通过控制隐藏顺序来调整材料属性的新机制.
主要方法:
- 利用电子和原子间相互作用的简单模型.
- 分析的晶体具有相同的平均结构,但不同的隐藏顺序.
- 检查了隐藏顺序状态内增加局部相关性的影响.
主要成果:
- 具有相同平均结构但不同的隐性顺序的晶体表现出不同的电子和音频带结构.
- 隐藏顺序状态中的增强局部相关性可以打开带间隙.
- 模式移位可以调整,导致基本的属性变化,而不会破坏远程对称性.
结论:
- 对隐藏顺序的控制为调整材料特性提供了一种新的方法.
- 这种机制与基于远程顺序的传统结构-属性关系是直角的.
- 隐藏的顺序代表着一个重要的,但在很大程度上尚未开发的,材料设计的资源.
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