Strong current in carbon nanoconductors: Mechanical and magnetic stability

IF 11.6 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Carbon Pub Date : 2024-10-25 DOI:10.1016/j.carbon.2024.119708
S. Leitherer , N. Papior , M. Brandbyge
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Abstract

Carbon nanoconductors are known to have extraordinary mechanical strength and interesting magnetic properties. Moreover, nanoconductors based on one- or two-dimensional carbon allotropes display a very high current-carrying capacity and ballistic transport. Here, we employ a recent, simple approach based on density functional theory to analyze the impact of strong current on the mechanical and magnetic properties of carbon nanoconductors. We find that the influence of the current itself on the bond-strength of carbon in general is remarkably low compared to e.g. typical metals. This is demonstrated for carbon chains, carbon nanotubes, graphene and polyacetylene. We can trace this to the strong binding and electronic bandstructure. On the other hand, we find that the current significantly change the magnetic properties. In particular, we find that currents in graphene zig-zag edge states quench the magnetism.

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碳纳米导体中的强电流:机械和磁稳定性
众所周知,碳纳米导体具有非凡的机械强度和有趣的磁性能。此外,基于一维或二维碳同素异形体的纳米导体显示出极高的载流能力和弹道传输能力。在此,我们采用一种基于密度泛函理论的最新简单方法来分析强电流对碳纳米导体机械和磁性能的影响。我们发现,与典型金属等相比,电流本身对碳键强度的影响非常小。碳链、碳纳米管、石墨烯和聚乙炔都证明了这一点。我们可以将其归因于强大的结合力和电子带状结构。另一方面,我们发现电流会显著改变磁性。特别是,我们发现石墨烯 "之 "字形边缘状态下的电流会淬灭磁性。
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来源期刊
Carbon
Carbon 工程技术-材料科学:综合
CiteScore
20.80
自引率
7.30%
发文量
0
审稿时长
23 days
期刊介绍: The journal Carbon is an international multidisciplinary forum for communicating scientific advances in the field of carbon materials. It reports new findings related to the formation, structure, properties, behaviors, and technological applications of carbons. Carbons are a broad class of ordered or disordered solid phases composed primarily of elemental carbon, including but not limited to carbon black, carbon fibers and filaments, carbon nanotubes, diamond and diamond-like carbon, fullerenes, glassy carbon, graphite, graphene, graphene-oxide, porous carbons, pyrolytic carbon, and other sp2 and non-sp2 hybridized carbon systems. Carbon is the companion title to the open access journal Carbon Trends. Relevant application areas for carbon materials include biology and medicine, catalysis, electronic, optoelectronic, spintronic, high-frequency, and photonic devices, energy storage and conversion systems, environmental applications and water treatment, smart materials and systems, and structural and thermal applications.
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