Crucial role of atomic corrugation on the flat bands and energy gaps of twisted bilayer graphene at the magic angle θ∼1.08
We combine state-of-the-art large-scale first-principles calculations with a low-energy continuum model to describe the nearly flat bands of twisted bilayer graphene at the first magic angle θ=1.08∘. We show that the energy width of the flat-band manifold, as well as the energy gap separating it fro...
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| Veröffentlicht in: | Physical review. B 2019-05, Vol.99 (19), p.195419 |
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| container_issue | 19 |
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| container_title | Physical review. B |
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| creator | Lucignano, Procolo Alfè, Dario Cataudella, Vittorio Ninno, Domenico Cantele, Giovanni |
| description | We combine state-of-the-art large-scale first-principles calculations with a low-energy continuum model to describe the nearly flat bands of twisted bilayer graphene at the first magic angle θ=1.08∘. We show that the energy width of the flat-band manifold, as well as the energy gap separating it from the valence and conduction bands, can be obtained only if the out-of-plane relaxations are fully taken into account. The results agree both qualitatively and quantitatively with recent experimental outcomes. |
| doi_str_mv | 10.1103/PhysRevB.99.195419 |
| format | Article |
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| fulltext | fulltext |
| identifier | ISSN: 2469-9950 |
| ispartof | Physical review. B, 2019-05, Vol.99 (19), p.195419 |
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| language | eng |
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| source | American Physical Society Journals |
| subjects | Bilayers Conduction bands Continuum modeling Energy gap First principles Graphene |
| title | Crucial role of atomic corrugation on the flat bands and energy gaps of twisted bilayer graphene at the magic angle θ∼1.08 |
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