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Title: Study of electronic transport properties of doped 8AGNR

The electronic and transport properties of 8-armchair graphene nanoribbon (8AGNR) with defect at different sites are investigated by performing first-principles calculations based on density functional theory (DFT). The calculated results show that the 8AGNR are semiconductor. The introduction of 3d transition metals, creates the nondegenerate states in the conduction band, makes 8AGNR metallic. The computed transmission spectrum confirms that AGNR are semiconducting in nature and their band gap remain unchanged and localized states appear when there is vacancy in their structures, and the conductance decreases due to defects compared with the pristine nanoribbon.
Authors:
 [1] ;  [2] ;  [3]
  1. Rustamji Institute of Technology, BSF Academy Tekanpur, Gwalior-475005 (India)
  2. Advanced Materials Research Group, Computational Nanoscience and Technology Lab, ABV-Indian Institute of Information Technology and Management Gwalior-474015 (India)
  3. School of Studies in Physics, Jiwaji University, Gwalior-474011 (India)
Publication Date:
OSTI Identifier:
22269317
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1591; Journal Issue: 1; Conference: 58. DAE solid state physics symposium 2013, Patiala, Punjab (India), 17-21 Dec 2013; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 77 NANOSCIENCE AND NANOTECHNOLOGY; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; GRAPHENE; NANOSTRUCTURES; SEMICONDUCTOR MATERIALS; SPECTRA; TRANSITION ELEMENTS; TRANSMISSION