Energy Gaps in BN/GNRs Planar Heterostructure

Using the tight-binding approach, we study the band gaps of boron nitride (BN)/ graphene nanoribbon (GNR) planar heterostructures, with GNRs embedded in a BN sheet. The width of BN has little effect on the band gap of a heterostructure. The band gap oscillates and decreases from 2.44 eV to 0.26 eV,...

Full description

Bibliographic Details
Main Authors: Jinyue Guan, Lei Xu
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Materials
Subjects:
Online Access:https://www.mdpi.com/1996-1944/14/17/5079
Description
Summary:Using the tight-binding approach, we study the band gaps of boron nitride (BN)/ graphene nanoribbon (GNR) planar heterostructures, with GNRs embedded in a BN sheet. The width of BN has little effect on the band gap of a heterostructure. The band gap oscillates and decreases from 2.44 eV to 0.26 eV, as the width of armchair GNRs, <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>n</mi><mi>A</mi></msub></mrow></semantics></math></inline-formula>, increases from 1 to 20, while the band gap gradually decreases from 3.13 eV to 0.09 eV, as the width of zigzag GNRs, <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>n</mi><mi>Z</mi></msub></mrow></semantics></math></inline-formula>, increases from 1 to 80. For the planar heterojunctions with either armchair-shaped or zigzag-shaped edges, the band gaps can be manipulated by local potentials, leading to a phase transition from semiconductor to metal. In addition, the influence of lattice mismatch on the band gap is also investigated.
ISSN:1996-1944