Electronic structures and transport properties of BN nanodot superlattices of armchair graphene nanoribbons

An Liping; Liu Nianhua

doi:10.1088/1674-4926/32/9/092002

J. Semicond. > 2011, Volume 32 > Issue 9 > 092002

SEMICONDUCTOR PHYSICS

Electronic structures and transport properties of BN nanodot superlattices of armchair graphene nanoribbons

An Liping and Liu Nianhua

+ Author Affiliations

DOI: 10.1088/1674-4926/32/9/092002

Abstract: The electronic and transport properties of embedded boron nitride (BN) nanodot superlattices of armchair graphene nanoribbons are studied by first-principles calculations. The band structure of the graphene superlattice strongly depends on the geometric shape and size of the BN nanodot, as well as the concentration of nanodots. The conduction bands and valence bands near the Fermi level are nearly symmetric, which is induced by electron-hole symmetry. When B and N atoms in the graphene superlattices with a triangular BN nanodot are exchanged, the valance bands and conduction bands are inverted with respect to the Fermi level due to electron-hole symmetry. In addition, the hybridization of π orbitals from C and redundant B atoms or N atoms leads to a localized band appearing near the Fermi level. Our results also show a series of resonant peaks appearing in the conductance. This strongly depends on the distance of the two BN nanodots and on the shape of the BN nanodot. Controlling these parameters might allow the modulation of the electronic response of the systems.

Key words: graphene nanoribbon

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An Liping, Liu Nianhua. Electronic structures and transport properties of BN nanodot superlattices of armchair graphene nanoribbons[J]. Journal of Semiconductors, 2011, 32(9): 092002. doi: 10.1088/1674-4926/32/9/092002

An L P, Liu N H. Electronic structures and transport properties of BN nanodot superlattices of armchair graphene nanoribbons[J]. J. Semicond., 2011, 32(9): 092002. doi: 10.1088/1674-4926/32/9/092002.

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Received: 20 August 2015 Revised: 16 May 2011 Online: Published: 01 September 2011

The electronic and transport properties of embedded boron nitride (BN) nanodot superlattices of armchair graphene nanoribbons are studied by first-principles calculations. The band structure of the graphene superlattice strongly depends on the geometric shape and size of the BN nanodot, as well as the concentration of nanodots. The conduction bands and valence bands near the Fermi level are nearly symmetric, which is induced by electron-hole symmetry. When B and N atoms in the graphene superlattices with a triangular BN nanodot are exchanged, the valance bands and conduction bands are inverted with respect to the Fermi level due to electron-hole symmetry. In addition, the hybridization of π orbitals from C and redundant B atoms or N atoms leads to a localized band appearing near the Fermi level. Our results also show a series of resonant peaks appearing in the conductance. This strongly depends on the distance of the two BN nanodots and on the shape of the BN nanodot. Controlling these parameters might allow the modulation of the electronic response of the systems.

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