在Gd-Sb化合物中的半金属,半金属,半导体和金属状态
Semyon T Baidak1,2, Alexey V Lukoyanov1,2
1Institute of Physics and Technology, Ural Federal University Named after the First President of Russia B.N. Yeltsin, 620002 Ekaterinburg, Russia.
International journal of molecular sciences
|May 27, 2023
概括
这项研究探讨了Gd-Sb金属间化合物,揭示了各种电子特性,如半金属,半导体和半金属状态. 一些材料表现出拓特征,有望有先进的应用.
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
- 量子材料是一种量子材料.
背景情况:
- 基于加多和安提蒙的金属间材料由于其潜在的拓特征引起了人们的兴趣.
- 了解它们的电子和带结构对于探索量子材料特性至关重要.
研究的目的:
- 从理论上研究五种基于Gd-Sb的化合物的电子和带结构.
- 为了证明Gd-Sb家族内的各种电子特性.
- 识别潜在的拓特征及其影响.
主要方法:
- 使用理论上的ab initio方法.
- 考虑到Gd-4f电子的强电子相关性.
- 分析带结构和电子状态.
主要成果:
- GdSb表现出具有拓特征的半金属状态.
- GdNiSb是一种半导体,间接带间隙为0.38 eV.
- Gd4Sb3是一种半金属,具有0.67 eV的少数旋转间隙.
- GdSbS2O是一种具有小间接间隙的半导体.
- GdSb2是金属的,并显示了迪拉克形状的特征,由旋转轨道合分裂.
结论:
- 基于Gd-Sb的材料具有广泛的电子特性,包括半金属,半导体和半金属状态.
- 在一些化合物中确定了拓特征,表明它们可能具有独特的运输和磁性特性.
- 这些材料对于需要大磁阻力的应用具有前景.
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