高压下的结构演变和超导性及其调制
Lihui Zhan1, Wenhao Fan1, Junyi Miao1
1School of Mathematics and Physics, China University of Geosciences (Wuhan), Wuhan 430074, China. lucheng@calypso.cn.
Physical chemistry chemical physics : PCCP
|September 30, 2024
概括
我们探索了在压力下的超导性,发现其临界温度下降. 用轻元素合,如ThB,在环境压力下显著增强了超导性.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 计算材料科学科学 计算材料科学
背景情况:
- 元素扫在压力下表现出高超导的临界温度 (Tc).
- 了解 (Th) 等重元素的超导性至关重要.
- 研究Th的压力诱导的结构和超导特性.
研究的目的:
- 在高压下理论研究Th的结构演变和超导性,高压高达300GPa.
- 探索调节Th的超导性的机制.
- 提出方法来增强Th的超导特性.
主要方法:
- 卡利普索结构搜索方法.
- 第一原则计算.第一原则计算.
- 结构性和超导性质的理论研究.
主要成果:
- 发现了两个新的Th结构 (Fmmm和Immm阶段).
- Th 的面中心立方 (fcc) 阶段在环境压力下表现出 2.7 K 的 Tc,随着压力下降.
- 玻化物 (ThB) 在环境压力下通过轻元素剂显示增强的超导性 (12.4K).
结论:
- 高压降低了Th的超导性.
- 在fcc框架中对光元素的外在兴奋剂增强了Th的超导性.
- 这项研究为调节Th超导性提供了一个范式,并对Th基化合物的洞察力.
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