Structure-Imposed Electronic Topology in Cove-Edged Graphene Nanoribbons.
Phys Rev Lett
; 129(21): 216401, 2022 Nov 18.
Article
em En
| MEDLINE
| ID: mdl-36461955
ABSTRACT
In cove-edged zigzag graphene nanoribbons (ZGNR-Cs), one terminal CH group per length unit is removed on each zigzag edge, forming a regular pattern of coves that controls their electronic structure. Based on three structural parameters that unambiguously characterize the atomistic structure of ZGNR-Cs, we present a scheme that classifies their electronic state (i.e., if they are metallic, topological insulators, or trivial semiconductors) for all possible widths N, unit lengths a, and cove position offsets at both edges b, thus showing the direct structure-electronic structure relation. We further present an empirical formula to estimate the band gap of the semiconducting ribbons from N, a, and b. Finally, we identify all geometrically possible ribbon terminations and provide rules to construct ZGNR-Cs with a well-defined electronic structure.
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Base de dados:
MEDLINE
Idioma:
En
Revista:
Phys Rev Lett
Ano de publicação:
2022
Tipo de documento:
Article
País de afiliação:
Alemanha