Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102070
Title: Superconductivity in ultra-thin carbon nanotubes and carbyne-nanotube composites: An ab-initio approach
Authors: Wong, C. H.
Buntov, E. A.
Guseva, M. B.
Kasimova, R. E.
Rychkov, V. N.
Zatsepin, A. F.
Issue Date: 2017
Publisher: Elsevier Ltd
Citation: Superconductivity in ultra-thin carbon nanotubes and carbyne-nanotube composites: An ab-initio approach / C. H. Wong, E. A. Buntov, M. B. Guseva, et al. — DOI 10.1016/j.carbon.2017.09.077 // Carbon. — 2017. — Vol. 125. — P. 509-515.
Abstract: The superconductivity of the 4-Å 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 Tc of 60 K is found. We also use our method to calculate the Tc 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 Tc of this carbon composite by a factor of 2.2 with respect to the empty (5,0) SWCNTs. © 2017 Elsevier Ltd
Keywords: CARBON CARBON COMPOSITES
CARBON NANOTUBES
CHAINS
ELECTRON-PHONON INTERACTIONS
ELECTRONIC DENSITY OF STATES
NANOTUBES
PHONONS
QUANTUM CHEMISTRY
SUPERCONDUCTING TRANSITION TEMPERATURE
YARN
AB INITIO APPROACH
CARBON COMPOSITES
COMPUTATIONAL ALGORITHM
ELECTRON PHONON COUPLINGS
NANOTUBE COMPOSITES
SINGLE-WALLED CARBON NANOTUBE (SWCNTS)
SUPERCONDUCTING GAPS
VAN HOVE SINGULARITIES
SINGLE-WALLED CARBON NANOTUBES (SWCN)
URI: http://hdl.handle.net/10995/102070
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85030172009
PURE ID: 2119533
566ec148-eb2d-435e-9245-275368faf187
ISSN: 86223
DOI: 10.1016/j.carbon.2017.09.077
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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