Boron Nitride Bilayer Research Articles

Structure and Electronic and Transport Properties of Transition Metal Intercalated Graphene and Graphene-Hexagonal-Boron-Nitride Bilayer

Structural, electronic, and magnetic properties of the Fe-, Co-, Ni-, and V-intercalated graphene bilayer sandwich (denoted by C2|M|C2, M = Fe, Co, Ni, and V) and graphene on hexagonal boron nitride (h-BN) bilayer sandwich (denoted by C2|M|BN, M = Fe, Co, Ni, and V) are studied by using density functional theory method. We find that both the graphene bilayer and graphene-h-BN bilayer in all the C2|M|C2 and C2|M|BN sandwiches favor AB stacking over AA stacking mode. The Fe, Co, and Ni atoms prefer to be located over the center of C–C bonds whereas V atoms prefer to be located above the C atoms on graphene, and they all prefer to be located above the N atoms on h-BN sheet, regardless of the stacking mode. The C2|Fe|C2, C2|Co|C2, C2|Fe|BN, and C2|Co|BN sandwiches of AB stacking are all ferromagnetic metals with the spin polarization of 86%, 67%, 65%, and 46% at the Fermi level, respectively. By contrast, both C2|Ni|C2 and C2|Ni|BN sandwiches of AB stacking are nonmagnetic semiconductors with bandgaps of 0.64...

Stability of boron nitride bilayers: Ground-state energies, interlayer distances, and tight-binding description

We have studied boron nitride monolayer and bilayer band structures. For bilayers, the ground-state energies of the different five stackings are computed using DFT in order to determine the most stable configuration. Also, the interlayer distance for the five different types of stacking in which boron-nitride bilayers can be found is determined. Using a minimal tight-binding model for the band structures of boron nitride bilayers, the hopping parameters and the on-site energies have been extracted by fitting a tight-binding empirical model to the DFT results.

Modulation of electronic properties of hexagonal boron nitride bilayers by an electric field: A first principles study

The electronic structures of hexagonal boron nitride (BN) bilayers are studied by first principles calculations. The stabilities of BN bilayers with various stackings are determined. We find that an external electric field could significantly modulate the energy gaps of BN bilayers. By a relatively small adjustment of interlayer distance near the equilibrium position, we show that the direct band gaps can be obtained in a wide energy range when an external electric field is applied. These results suggest potential applications of BN bilayers in light emitting devices.

Energy gap tuning in graphene on hexagonal boron nitride bilayer system

We use a tight binding approach and density functional theory calculations to study the band structure of graphene/hexagonal boron nitride bilayer system in the most stable configuration. We show that an electric field applied in the direction perpendicular to the layers significantly modifies the electronic structure of the whole system, including shifts, anticrossing and other deformations of bands, which can allow to control the value of the energy gap. It is shown that band structure of biased system may be tailored for specific requirements of nanoelectronics applications. The carriers' mobilities are expected to be higher than in the bilayer graphene devices.

Formation of boron nitride and silicon nitride bilayer films by ion beam enhanced deposition

Bilayer thin films of boron nitride and silicon nitride were prepared by sequential electron beam evaporation of Si or B and simultaneous irradiation with nitrogen ions. The composition and structure of the films were investigated by AES and IR analysis.