• Journal of Semiconductors
  • Vol. 40, Issue 3, 032801 (2019)
Santosh Kumar Gupta1 and Rupesh Shukla2
Author Affiliations
  • 1Department of Electronics & Communication Engineering, Motilal Nehru National Institute of Technology Allahabad, Uttar Pradesh-211004, India
  • 2Department of Electrical & Electronics Engineering, Loknayak Jai Prakash Institute of Technology Chhapra, Bihar-841302, India
  • show less
    DOI: 10.1088/1674-4926/40/3/032801 Cite this Article
    Santosh Kumar Gupta, Rupesh Shukla. Bandgap engineered novel g-C3N4/G/h-BN heterostructure for electronic applications[J]. Journal of Semiconductors, 2019, 40(3): 032801 Copy Citation Text show less

    Abstract

    The effect of an external electric field on the bandgap is observed for two proposed heterostructures graphitic carbon nitride-graphene-hexagonal boron nitride (g-C3N4/G/h-BN) in hexagonal stack (AAA) and graphene-graphitic carbon nitride-hexagonal boron nitride (G/g-C3N4/h-BN) in Bernal stack (ABA). Their inter-layer distance, binding energy and effective mass has also been calculated. The structure optimization has been done by density functional theory (DFT) with van der Waals corrections. The inter-layer distance, bandgap, binding energy and effective mass has been listed for these heterostructures and compared with that of bilayer graphene (BLG), graphene-hexagonal boron nitride (G/h-BN) hetero-bilayer, graphene-graphitic carbon nitride (G/g-C3N4) hetero-bilayer and graphitic carbon nitride-graphene- graphitic carbon nitride (g-C3N4/G/g-C3N4) heterostructure in Bernal and hexagonal stack. g-C3N4/G/h-BN is found to offer lower effective mass and larger bandgap opening among the considered heterostructures.
    $ {f_\alpha } = {\left[ {1 + \exp \left( {\frac{{{\varepsilon _\alpha } - {\varepsilon _ {\rm{F}}}}}{{kT}}} \right)} \right]^{ - 1}} . $ (1)

    View in Article

    $ {E_ {\rm{disp}}} = {S_6}\sum\limits_{\mu < \;\mu '} {{V^{\rm PP}}} \left( {{Z_\mu },{Z_{\mu '}},{R_{\mu ,\mu '}}} \right) , $ (2)

    View in Article