Details

Autor(en) / Beteiligte

• Li, Zhongyao
• Zhang, Zhongyuan

Titel

Tuning the Topological Bandgap of Bilayer‐Bi(111) Supported on Graphene

Ist Teil von

• Physica status solidi. PSS-RRL. Rapid research letters, 2020-07, Vol.14 (7), p.n/a

Ort / Verlag

Weinheim: Wiley Subscription Services, Inc

Erscheinungsjahr

2020

Quelle

Wiley-Blackwell Journals

Beschreibungen/Notizen

• Based on first‐principles calculations, the electronic structures of the van der Waals heterostructures formed by bilayer‐Bi(111) and graphene are systematically studied. Although the Bi–graphene spacing is larger than 3 Å, the topological bandgap (TBG) of bilayer‐Bi(111) can be tuned by the weak Bi–graphene interaction and the stacking pattern between Bi and graphene. In the zigzag–zigzag stacking pattern, the TBG can be enlarged by reducing the Bi–graphene spacing or the buckling of bilayer‐Bi(111). Interestingly, in the zigzag–armchair stacking pattern, there is a new hybridization gap in a bilayer‐Bi(111) near Fermi level. Meanwhile, the TBG of bilayer‐Bi(111) can also be modified in the heterostructures. However, a large bandgap (more than 100 meV) can be realized in graphene by tuning the Bi–graphene spacing. The calculations suggest the importance of stacking pattern and hybridization on the electronic structures. The stacking pattern between Bi and graphene has great influence on the electronic structure of the van der Waals heterostructures formed by bilayer‐Bi(111) and graphene. A new hybridization gap in bilayer‐Bi(111) can be induced by the Bi–graphene interaction. Meanwhile, a large bandgap can be found in graphene due to the interaction.