Tuning the Topological Band Gap of Bismuthene with Silicon-based Substrate

Some meta-stable polymorphs of bismuth monolayer (bismuthene) can host topologically nontrivial phases. However, it remains unclear if these polymorphs can become stable through interaction with a substrate, whether their topological properties are preserved, and how to design an optimal substrate t...

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Bibliographic Details
Published in:arXiv.org 2022-02
Main Authors: Wittemeier, Nils, Ordejón, Pablo, Zanolli, Zeila
Format: Article
Language:English
Subjects:
Bismuth
Bonding strength
Electronic structure
First principles
Heterostructures
Monolayers
Silicon
Silicon carbide
Silicon dioxide
Silicon substrates
Topology
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Summary:Some meta-stable polymorphs of bismuth monolayer (bismuthene) can host topologically nontrivial phases. However, it remains unclear if these polymorphs can become stable through interaction with a substrate, whether their topological properties are preserved, and how to design an optimal substrate to make the topological phase more robust. Using first-principles techniques we demonstrate that bismuthene polymorphs can become stable over silicon carbide (SiC), silicon (Si), silicon dioxide (SiO2) and that the proximity interaction in the heterostructures has a significant effect on the electronic structure of the monolayer, even when bonding is weak. We show that the van der Waals interactions and the breaking of the sublattice symmetry are the main factors driving changes in the electronic structure. Our work demonstrates that substrate interaction can strengthen the topological properties of bismuthene polymorphs and make them accessible for experimental investigation and technological applications.
ISSN:2331-8422