在GdPtBi中通过反铁磁配置调节异常的霍尔导电性
Fiqhri Heda Murdaka1,2, Yusuf Wicaksono3, Edi Suprayoga4
1Graduate Program of Physics, Institut Teknologi Bandung, Jl. Ganesha No 10, Bandung 40132, Jawa Barat, Indonesia.
Physical chemistry chemical physics : PCCP
|January 8, 2025
概括
我们使用密度函数理论 (DFT) 研究了GdPtBi的磁性和电子性质. 反铁磁配置AFM与实验数据保持一致,并透露了通过操纵磁结构来控制异常霍尔导电性 (AHC) 的潜力.
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
- 计算材料科学科学 计算材料科学
背景情况:
- 了解磁性,电子性和拓性质之间的相互作用对于新型材料设计至关重要.
- 基于加多的金属间化合物,如GdPtBi,由于其复杂的磁性行为,引起了人们的兴趣.
- 像子自旋放松 (μSR) 这样的实验技术为内部磁场提供了洞察力.
研究的目的:
- 使用第一原理计算系统地研究GdPtBi的磁性,电子性和拓性质.
- 确定基态磁结构及其与实验观测的相关性.
- 探索磁性配置和拓电子状态之间的关系,特别是三点半金属 (TPSMs).
主要方法:
- 第一个原则密度函数理论 (DFT) 的计算被用来研究各种磁性配置 (铁磁和反铁磁).
- 在子位置的二极磁场计算被用来验证基态磁结构与μSR实验.
- 进行了带结构和贝里曲率计算,以确定拓性质并分析旋转轨道合的影响.
主要成果:
- 反铁磁配置AFM,与Gd磁矩垂直于[111]方向,被确定为基本状态,与μSR数据一致.
- 在AFM配置中的GdPtBi表现出三点半金属 (TPSM) 特性,三点节点对旋转轨道合变化敏感.
- 通过改变AFM结构的内平面角 (φ) 来观察到异常霍尔导电性 (AHC) 的显著变化 (75.06 Ω-1 cm-1),证明了可调性.
结论:
- 该研究成功确定了GdPtBi的基态磁性结构,并通过实验验证实了这一点.
- GdPtBi被确定为可调的三点半金属,其中异常的霍尔导电性可以通过操纵反铁磁结构来控制.
- 这些发现为设计具有可控制的拓电子性质的材料提供了潜在应用的途径.
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