Lucignano, P;
Alfe, D;
Cataudella, V;
Ninno, D;
Cantele, G;
(2019)
Crucial role of atomic corrugation on the flat bands and energy gaps of twisted bilayer graphene at the magic angle theta similar to 1.08 degrees.
Physical Review B
, 99
, Article 195419. 10.1103/PhysRevB.99.195419.
Preview |
Text
PhysRevB.99.195419.pdf - Published Version Download (3MB) | Preview |
Abstract
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.
| Type: | Article |
|---|---|
| Title: | Crucial role of atomic corrugation on the flat bands and energy gaps of twisted bilayer graphene at the magic angle theta similar to 1.08 degrees |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevB.99.195419 |
| Publisher version: | https://doi.org/10.1103/PhysRevB.99.195419 |
| Language: | English |
| Additional information: | This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | Science & Technology, Technology, Physical Sciences, Materials Science, Multidisciplinary, Physics, Applied, Physics, Condensed Matter, Materials Science, Physics |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Earth Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10075949 |
Archive Staff Only
 |
View Item |
