Abstracts Book - IMRC 2018

• SA1-P024
GAP VARIATION FOR 2D GRAPHENE AND HEXAGONAL BORON
NITRIDE HETEROSTRUCTURES
Raúl Mauricio Torres Rojas 1 , David Armando Contreras Solorio 1 , Luis Hernández 2 , Carlos Iván
Cabrera Perdomo 1 , Agustín Enciso 1
1
Universidad Autónoma de Zacatecas, Unidad Académica de Física, Mexico. 2 Universidad de La
Habana, Facultad de Física, Cuba.
There is a lot of research activity for the bidimensional materials Graphene (G)
(semimetal with 0 eV gap) and hexagonal Boron Nitride (h-BN) (insulator with
around 6 eV gap). They both have hexagonal structure with very similar lattice
constants which differ by less than 2 %. Their combination has a lot of potential
in electronic devices. In this work, we study, in the frame of the density
functional theory, the structural and electronic properties of 2D
heterostructures with 2, 3 and 4 layers of stacked layers of G/h-BN for several
configurations. Our calculations contribute to the discussion of a posible small
gap for G in this type of structures [1,2]. We also make a study of a
heterostructure consisting of one hybrid monolayer with domains of G and h-
BN in the same sheet. We found that, depending on the configuration and
concentration of h-BN, the gap of the heterostructure can be modified 0 to 6 eV.
This type of heterostructure can have many applications like solar cells, for
example.
1 G. Giovannetti, et al., Phys. Rev. B 76, 073103 (2007).
2 Jung, J. et al. Nat. Commun. 6, 6308 (2015).
Acknowledgment:
We thank the support of CONACYT.
Keywords: graphene, h-BN, DFT
Presenting authors email: rtorres@fisica.uaz.edu.mx