Length dependence of carbon-doped BN nanowires: A-D Rectification and a route to potential molecular devices

M. Qiu; K. M. Liew

doi:10.1063/1.4790306

Author(s)

M. Qiu
K. M. Liew

Detail(s)

Original language	English
Article number	54305
Journal / Publication	Journal of Applied Physics
Volume	113
Issue number	5
Publication status	Published - 7 Feb 2013

Link(s)

DOI	DOI https://doi.org/10.1063/1.4790306 Final Published version
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Attachment(s)	Documents 5791472.pdf Final Published version, 2.2 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 M. Qiu and K. M. Liew , "Length dependence of carbon-doped BN nanowires: A-D Rectification and a route to potential molecular devices", Journal of Applied Physics 113, 054305 (2013) and may be found at https://doi.org/10.1063/1.4790306.
Link to Scopus	https://www.scopus.com/record/display.uri?eid=2-s2.0-84873655201&origin=recordpage
Permanent Link	https://scholars.cityu.edu.hk/en/publications/publication(5af68a8f-3b82-45cb-bf78-881d0c25c8bf).html

Abstract

Based on the first-principles approach, electronic transport properties of different lengths of carbon-doped boron-nitrogen nanowires, capped with two thiols as end groups connected to Au electrodes surfaces, are investigated. The results show that rectifying performance and negative differential resistance (NDR) behaviors can be enhanced obviously by increasing the length. Analysis of Mülliken population, transmission spectra, evolutions of frontier orbitals and molecular projected self-consistent Hamiltonian of molecular orbital indicate that electronic transmission strength, charge transfer and distributions of molecular states change are the intrinsic origin of these rectifying performances and NDR behaviors. © 2013 American Institute of Physics.