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author:

Xu, X. (Xu, X..) [1] | Lu, Y. (Lu, Y..) [2]

Indexed by:

Scopus

Abstract:

We report a first-principles investigation on BN dopped monolayer graphene sheet and examined the electronic band structure and band gaps in equilibrium state and under strain. The obtained results reveal that the doping of B-N pairs on the hexagonal sheet can open the gap at the Dirac-like point. With heavy doping and more B-N bonds the energy bad gap is found to be larger. Upon tensile deformation, the dopped BCN monolayer sheet represents a strong anisotropic stress-strain relation. Detailed strain-gap relation investigation reveals that the energy band gap presents desperate variation trends for strain applied along <100> and <010> direction. Versatile band-gap modulation schemes can then be obtained through direction-dependent strain engineering of the BCN nanosheet. © (2012) Trans Tech Publications.

Keyword:

Band gap energy; BCN nanosheet; Strain-induce gap; Tensile deformation

Community:

  • [ 1 ] [Xu, X.]School of Mechanical Engineering and Automation, Fuzhou University, Fuzhou, Fujian, 350001, China
  • [ 2 ] [Lu, Y.]School of Physics and OptoElectronics Technology, Fujian Normal University, Fuzhou Fujian, 350007, China

Reprint 's Address:

  • [Xu, X.]School of Mechanical Engineering and Automation, Fuzhou University, Fuzhou, Fujian, 350001, China

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Source :

Advanced Materials Research

ISSN: 1022-6680

Year: 2012

Volume: 476-478

Page: 1313-1317

Language: English

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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