UCL Discovery
UCL home » Library Services » Electronic resources » UCL Discovery

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

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. Green open access

[thumbnail of PhysRevB.99.195419.pdf]
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
Downloads since deposit
56Downloads
Download activity - last month
Download activity - last 12 months
Downloads by country - last 12 months

Archive Staff Only

View Item View Item