Tuning Gaps and Schottky Contacts of Graphene/Phosphorene Heterostructures by Vertical Electric Field and Strain.
2D materials
Schottky contact
band structure
electric field
gap
graphene
phosphorene
strain
vdW heterostructure
Journal
Nanomaterials (Basel, Switzerland)
ISSN: 2079-4991
Titre abrégé: Nanomaterials (Basel)
Pays: Switzerland
ID NLM: 101610216
Informations de publication
Date de publication:
17 Aug 2023
17 Aug 2023
Historique:
received:
30
06
2023
revised:
03
08
2023
accepted:
15
08
2023
medline:
26
8
2023
pubmed:
26
8
2023
entrez:
26
8
2023
Statut:
epublish
Résumé
We present a comprehensive study of the structural and electronic properties of a graphene/phosphorene (G/P) heterostructure in the framework of density functional theory, including van der Waals interaction in the exchange-correlation functional. While the G(4 × 1)/P(3 × 1) superlattice usually used in the literature is subject to a strain as high as about 7%, the in-plane strain could be drastically reduced to under 1% in the G(4 × 13)/P(3 × 12) heterostructure investigated here. Adapting the lattice constants of the rectangular lattices, the equilibrium configuration in the
Identifiants
pubmed: 37630942
pii: nano13162358
doi: 10.3390/nano13162358
pmc: PMC10459302
pii:
doi:
Types de publication
Journal Article
Langues
eng
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