Superconductivity in ultra-thin carbon nanotubes and carbyne-nanotube composites: An ab-initio approach / Wong C. H.,Buntov E. A.,Guseva M. B.,Kasimova R. E.,Rychkov V. N.,Zatsepin A. F. // CARBON. - 2017. - V. 125, l. . - P. 509-515.

ISSN/EISSN:

0008-6223 / 1873-3891

Type:

Article

Abstract:

The superconductivity of the 4-angstrom single-walled carbon nanotubes (SWCNTs) was discovered more than a decade ago, and marked the breakthrough of finding superconductivity in pure elemental undoped carbon compounds. The van Hove singularities in the electronic density of states at the Fermi level in combination with a large Debye temperature of the SWCNTs are expected to cause an impressively large superconducting gap. We have developed an innovative computational algorithm specially tailored for the investigation of superconductivity in ultrathin SWCNTs. We predict the superconducting transition temperature of various thin carbon nanotubes resulting from electron-phonon coupling by an ab-initio method, taking into account the effect of radial pressure, symmetry, chirality (N,M) and bond lengths. By optimizing the geometry of the carbon nanotubes, a maximum T-c of 60 K is found. We also use our method to calculate the T-c of a linear carbon chain embedded in the center of (5,0) SWCNTs. The strong curvature in the (5,0) carbon nanotubes in the presence of the inner carbon chain provides an alternative path to increase the T-c of this carbon composite by a factor of 2.2 with respect to the empty (5,0) SWCNTs. (C) 2017 Elsevier Ltd. All rights reserved.

Author keywords:

THERMAL-PROPERTIES; NANOWIRE ARRAYS; APPROXIMATION; FLUCTUATIONS; ENHANCEMENT; EXCHANGE; SURFACES; CHAIN; ATOMS

DOI:

10.1016/j.carbon.2017.09.077

Web of Science ID:

ISI:000413303500055

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	DEC
Publisher	PERGAMON-ELSEVIER SCIENCE LTD
Address	THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
Language	English
EISSN	1873-3891
Keywords-Plus	THERMAL-PROPERTIES; NANOWIRE ARRAYS; APPROXIMATION; FLUCTUATIONS; ENHANCEMENT; EXCHANGE; SURFACES; CHAIN; ATOMS
Research-Areas	Chemistry; Materials Science
Web-of-Science-Categories	Chemistry, Physical; Materials Science, Multidisciplinary
Author-Email	ch.kh.vong@urfu.ru
Funding-Acknowledgement	Government of the Russian Federation {[}02.A03.21.0006]
Funding-Text	We acknowledge the technical support of the ab-inito software from Prof. Jiyan Dai in The Hong Kong Polytechnic University. The research was partially supported by Act 211 of the Government of the Russian Federation, contract no. 02.A03.21.0006.
Number-of-Cited-References	32
Usage-Count-Last-180-days	4
Usage-Count-Since-2013	4
Journal-ISO	Carbon
Doc-Delivery-Number	FK2HO