The first-principles study of oscillating rectifying performance in nanoribbon-chain-carbon nanotube junctions

Ming Qiu; K. M. Liew

doi:10.1063/1.4807284

Author(s)

Ming Qiu
K. M. Liew

Detail(s)

Original language	English
Article number	203106
Journal / Publication	Applied Physics Letters
Volume	102
Issue number	20
Publication status	Published - 20 May 2013

Link(s)

DOI	DOI https://doi.org/10.1063/1.4807284 Final Published version
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Attachment(s)	Documents 5827982.pdf Final Published version, 2.7 MB, PDF Publisher's Copyright Statement This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Ming Qiu and K. M. Liew , "The first-principles study of oscillating rectifying performance in nanoribbon-chain-carbon nanotube junctions", Appl. Phys. Lett. 102, 203106 (2013) and may be found at https://doi.org/10.1063/1.4807284.
Link to Scopus	https://www.scopus.com/record/display.uri?eid=2-s2.0-84878371328&origin=recordpage
Permanent Link	https://scholars.cityu.edu.hk/en/publications/publication(ce3d68a7-2303-42d5-a28b-afe6b564a986).html

Abstract

Electronic transport properties of armchair graphene nanoribbon and capped carbon nanotube junctions, covalently bridged by carbon atomic chains with different numbers of carbon atoms, are investigated. The first-principles calculations based on non-equilibrium Green's functions with the density-functional theory show that their I-V characteristics display odd-even effects and rectifying behaviors show obvious oscillations, namely, different bond patterns for even- and odd-numbered carbon chains affect the contact bonds, charge transfer, density of states, evolutions of molecular orbitals, and rectifying performance. © 2013 AIP Publishing LLC.