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Title: Band-gap engineering in fluorographene nanoribbons under uniaxial strain

Based on extensive first-principles calculations, we report the structural and electronic properties of fluorinated graphene, i.e., fluorographene nanoribbons (FGNRs) under uniaxial strain. Our results indicate that the FGNRs are semiconductors with wide direct band gaps regardless of their edge structures. Moreover, the band gap of FGNR can be effectively modulated nonlinearly with the applied uniaxial elastic strain, where the band gap value increases first and then reduces when the applied strain changes from −10.0% to 10.0%. This abnormal behavior mainly originates from the electronic structures of valence and conduction band edges, which is quite different from previously reported linear behavior on graphene nanoribbon. Our results imply the great potential applications of FGNRs in the optical electronics.
Authors:
;  [1]
  1. Hefei National Laboratory for Physical Sciences at Microscale and Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)
Publication Date:
OSTI Identifier:
22275655
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 4; 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; ELECTRONIC STRUCTURE; ENERGY GAP; FLUORINE COMPOUNDS; GRAPHENE; NANOSTRUCTURES; NONLINEAR PROBLEMS; SEMICONDUCTOR MATERIALS; STRAINS; VALENCE