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A theoretical quest for high temperature superconductivity on the example of low-dimensional carbon structures

机译:以低维碳结构为例的高温超导理论探索

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摘要

High temperature superconductivity does not necessarily require correlated electron systems with complex competing or coexisting orders. Instead, it may be achieved in a phonon-mediated classical superconductor having a high Debye temperature and large electronic density of states at the Fermi level in a material with light atoms and strong covalent bonds. Quasi-1D conductors seem promising due to the Van Hove singularities in their electronic density of states. In this sense, quasi-1D carbon structures are good candidates. In thin carbon nanotubes, superconductivity at ~15 K has been reported, and it is likely the strong curvature of the graphene sheet which enhances the electron-phonon coupling. We use an ab-initio approach to optimize superconducting quasi-1D carbon structures. We start by calculating a T c of 13.9 K for (4.2) carbon nanotubes (CNT) that agrees well with experiments. Then we reduce the CNT to a ring, open the ring to form chains, optimize bond length and kink structure, and finally form a new type of carbon ring that reaches a T c value of 115 K.
机译:高温超导不一定需要具有复杂竞争或共存顺序的相关电子系统。相反,这可以在具有轻原子和强共价键的材料中具有高德拜温度和费米能级的高电子态密度的声子介导的经典超导体中实现。由于范霍夫电子态密度的奇异性,准1D导体似乎很有希望。从这个意义上讲,准一维碳结构是不错的选择。在薄碳纳米管中,据报道在〜15 K处有超导性,并且石墨烯片的强曲率可能会增强电子-声子耦合。我们使用从头开始的方法来优化超导准1D碳结构。我们从计算与实验非常吻合的(4.2)碳纳米管(CNT)的T c为13.9 K开始。然后我们将CNT还原为一个环,打开环以形成链,优化键长和纽结结构,最后形成一种新型的碳环,其T c值为115K。

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