Tuning Electronic Transport Properties of Zigzag Graphene Nanoribbons with Stone-Wales Defect

Tien Thanh Nguyen, Hoc Thai Bui, Ut Van Nguyen, Tuan Le
Author affiliations

Authors

  • Tien Thanh Nguyen College of Natural Sciences, Can Tho University
  • Hoc Thai Bui College of Natural Sciences, Can Tho University
  • Ut Van Nguyen College of Natural Sciences, Can Tho University
  • Tuan Le School of Engineering Physics, Hanoi University of Science and Technoloy, 1 Dai Co Viet Road, Hanoi, Vietnam. https://orcid.org/0000-0003-4705-7250

DOI:

https://doi.org/10.15625/0868-3166/28/3/12670

Keywords:

density-functional theory, non-equilibrium, Green function, electronic transport, graphene nanoribbon, transmission spectrum, current\textendash voltage characteristics

Abstract

Influences of the symmetric Stone-Wales (SW) defect on the electronic transport properties of the zigzag graphene nanoribbons (ZGNRs) has been studied using $\it{ab}$ $\it{ initio}$ simulation based on density functional theory (DFT) combined with non-equilibrium Green's function (NEGF) technique. The calculated transmission spectra T(E) at various bias windows, device densities of states (DDOS), current characteristics as well as local density of states (LDOS) of the defective asymmetric and symmetric ZGNRs are presented in comparison of those for the pristine ZGNRs. It has been established the metallic character of the electronic transport in asymmetric ZGNRs, and in symmetric ones, the current has a semiconductor behavior, with negative differential resistance (NDR) effect. Symmetric SW defect, as a most unfavorable SW defect type for electric conductance, remarkably decreases the current values, but does not change the character of conductivity in both the asymmetric and symmetric ZGNRs. NDR has been explained by the altering by SW defect the number of frontier molecular orbitals entering bias windows.

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Published

14-11-2018

How to Cite

[1]
T. T. Nguyen, H. T. Bui, U. V. Nguyen and T. Le, Tuning Electronic Transport Properties of Zigzag Graphene Nanoribbons with Stone-Wales Defect, Comm. Phys. 28 (2018) 201. DOI: https://doi.org/10.15625/0868-3166/28/3/12670.

Issue

Vol. 28 No. 3 (2018)

Section

Papers

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Received 13-06-2018
Accepted 14-08-2018
Published 14-11-2018