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第一性原理预测掺杂石墨烷作为高温电子-声子超导体。

First-principles prediction of doped graphane as a high-temperature electron-phonon superconductor.

机构信息

Department of Engineering, University of Cambridge, Cambridge, CB3 0FA, United Kingdom.

出版信息

Phys Rev Lett. 2010 Jul 16;105(3):037002. doi: 10.1103/PhysRevLett.105.037002. Epub 2010 Jul 14.

DOI:10.1103/PhysRevLett.105.037002
PMID:20867792
Abstract

We predict by first-principles calculations that p-doped graphane is an electron-phonon superconductor with a critical temperature above the boiling point of liquid nitrogen. The unique strength of the chemical bonds between carbon atoms and the large density of electronic states at the Fermi energy arising from the reduced dimensionality give rise to a giant Kohn anomaly in the optical phonon dispersions and push the superconducting critical temperature above 90 K. As evidence of graphane was recently reported, and doping of related materials such as graphene, diamond, and carbon nanostructures is well established, superconducting graphane may be feasible.

摘要

我们通过第一性原理计算预测,p 型掺杂石墨烷是一种具有超导电性的电子-声子混合导体,其临界温度高于液氮的沸点。碳原子之间化学键的独特强度和费米能级处电子态密度的增大来源于维度的降低,这导致了光学声子色散中的巨大 Kohn 反常,并将超导临界温度推高至 90K 以上。由于最近有报道称发现了石墨烷,并且对相关材料(如石墨烯、金刚石和碳纳米结构)的掺杂也已经得到了很好的证实,因此超导石墨烷可能是可行的。

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