NDLI: Two-Gap Superconductivity in Niobium Carbide-Coated Single-Walled Carbon Nanotubes: A First-Principles Study

Content Provider	Springer Nature Link
Author	Sharma, Deepa Jaggi, Neena
Copyright Year	2016
Abstract	Superconductivity in carbon nanotubes is attracting worldwide attention because of the reported high superconducting transition temperature in small-diameter single-walled carbon nanotubes (SWCNTs). However, it is well known that superconductivity in low-dimensional (quasi-1D) systems is not so common due to low density of states (DOS), strong quantum fluctuations and other phenomena in such systems. In this paper, we present theoretical investigations of the proximity effect of superconducting niobium carbide on single-walled carbon nanotube using density functional theory (DFT). The relaxed structure shows that Nb atoms are held around the SWCNT, forming a layer through weak van der Waals’ forces. The stability of the structure has been confirmed by Hirshfeld analysis and Mullikan population analysis as well. The study of the electronic band structure of the pristine and modified SWCNT shows a fascinating condensation of electronic states and a striking shift in the Fermi level. Further, two additional band gaps have appeared below the valence band suggesting some kind of pairing mechanism being operational. This indicates the possibility of superconducting behaviour in SWCNT in proximity of niobium carbide. The relaxed structure thus envisions the feasibility and stability of NbC-coated SWCNTs which will have superconducting properties as well as the remarkable mechanical and optical properties of SWCNTs. This prediction seeks interest of the researchers to try and develop such a novel nanomaterial which, if realized, will prove to be highly significant for many technological applications.
Starting Page	371
Ending Page	377
Page Count	7
File Format	PDF
ISSN	15571939
Journal	Journal of Superconductivity and Novel Magnetism
Volume Number	30
Issue Number	2
e-ISSN	15571947
Language	English
Publisher	Springer US
Publisher Date	2016-09-29
Publisher Place	New York
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Superconductivity Proximity effect SWCNT Niobium carbide Density functional theory CASTEP Material studio Strongly Correlated Systems, Superconductivity Magnetism, Magnetic Materials Condensed Matter Physics Characterization and Evaluation of Materials
Content Type	Text
Resource Type	Article
Subject	Electronic, Optical and Magnetic Materials Condensed Matter Physics

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