Abstract
The stacking effects on the electronic structure of van der Waals heterostructures consisting of silicene and hexagonal boron nitride are investigated by first-principles calculations. It is shown that the stacking is fundamental for the details of the dispersion relation in the vicinity of the Fermi energy (gapped, non-gapped, linear, parabolic) despite small differences in the total energy. It is also demonstrated that the tight-binding model of bilayer graphene is able to capture most of these features of the van der Waals heterostructures, and the limitations of the model are identified.
| Original language | English |
|---|---|
| Article number | 1800083 |
| Journal | Advanced Theory and Simulations |
| Volume | 1 |
| Issue number | 11 |
| DOIs | |
| Publication status | Published - 1 Nov 2018 |
Keywords
- heterostructures
- hexagonal boron nitride
- silicene
- stacking
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