T 型石墨烯薄片和纳米管的金属性质

IF 1.7 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY
Hamze Mousavi, Samira Jalilvand, Delnia Dahesh
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引用次数: 0

摘要

我们利用紧密结合哈密顿模型和格林函数形式主义研究了具有不同手性和直径的 T-石墨烯纳米管(TGNT)的带状结构、状态密度(DOS)和保利磁感应强度(PMS)。我们分析了两种边缘类型:之字形(zTGNT)和扶手椅形(aTGNT)。我们的研究结果表明,无论直径大小,zTGNT 和 aTGNT 都表现出金属特性。值得注意的是,aTGNT 在其带状结构中具有狄拉克点,其丰度随纳米管直径的增加而增加。与石墨烯相比,当纳米管直径增大时,aTGNTs 在费米级显示出更多的狄拉克点。此外,直径增大还会导致带状结构中出现额外的子带,并在 DOS 图中出现范霍夫奇点。因此,PMS 曲线出现了交叉,在不同温度下分为不同的区域。两种 TGNT 类型的金属特性在 PMS 曲线中都很明显,这归因于 PMS 和 DOS 之间的比例关系。此外,随着 TGNT 直径的显著增加,DOS 曲线向单层行为靠拢。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Metallic nature of T-graphene sheet and nanotubes
The band structure, density of states (DOS), and Pauli magnetic susceptibility (PMS) of T-graphene nanotubes (TGNTs) with varying chiralities and diameters are investigated using the tight-binding Hamiltonian model and Green's function formalism. We analyze two edge types: zigzag (zTGNT) and armchair (aTGNT). Our findings reveal that both zTGNTs and aTGNTs exhibit metallic behavior regardless of diameter. Notably, aTGNTs feature Dirac points in their band structure, with their abundance increasing with nanotube diameter. As compared to graphene, when the diameter of the nanotube increases, aTGNTs reveal more Dirac points at the Fermi level. Additionally, increasing the diameter leads to the emergence of additional sub-bands in the band structure and van-Hove singularities in the DOS diagrams. Consequently, the PMS curves exhibit a crossover, dividing into distinct regimes at varying temperatures. The metallic properties of both TGNT types are apparent in the PMS curves, attributed to the proportional relationship between PMS and DOS. Furthermore, the DOS curves converge towards monolayer behavior as the TGNT diameter increases significantly.
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来源期刊
Advances in Natural Sciences: Nanoscience and Nanotechnology
Advances in Natural Sciences: Nanoscience and Nanotechnology NANOSCIENCE & NANOTECHNOLOGYMATERIALS SCIE-MATERIALS SCIENCE, MULTIDISCIPLINARY
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