Energy Gaps in BN/GNRs Planar Heterostructure.
BN/GNRs heterostructure
band gap
lattice match
local potential
Journal
Materials (Basel, Switzerland)
ISSN: 1996-1944
Titre abrégé: Materials (Basel)
Pays: Switzerland
ID NLM: 101555929
Informations de publication
Date de publication:
05 Sep 2021
05 Sep 2021
Historique:
received:
03
08
2021
revised:
29
08
2021
accepted:
01
09
2021
entrez:
10
9
2021
pubmed:
11
9
2021
medline:
11
9
2021
Statut:
epublish
Résumé
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, nA, 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, nZ, 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.
Identifiants
pubmed: 34501169
pii: ma14175079
doi: 10.3390/ma14175079
pmc: PMC8433917
pii:
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : Natural Science Foundation of Xinjiang Province
ID : 2018D01C037
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