Bulletin of the American Physical Society
APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020; Denver, Colorado
Session S63: Twisted 2D Heterostructures: Computational and Theoretical Studies I
11:15 AM–2:03 PM,
Thursday, March 5, 2020
Room: Mile High Ballroom 4D
Sponsoring Unit: DCMP
Chair: Nicolas Leconte
Abstract: S63.00004 : Modeling mechanical relaxation and electronic states of incommensurate trilayer van der Waals heterostructures*
View Presentation Abstract
(University of Kansas)
(University of Minnesota, Twin Cities)
To study mechanical properties, we adopt configuration space as a natural description of incommensurate layers, which describes the local environment of each atomic position. We minimize the total energy, parameterized using Density Functional Theory calculations, to obtain the relaxation pattern. For the electronic properties, we focus on twisted trilayer graphene. We adopt a k.p effective theory derived from a low-energy expansion around the Dirac point. Our results suggest that the twisted trilayer systems are interesting from theoretical and mathematical points of view, as well as a promising platform to study correlated physics.
*This work was supported by the STC Center for Integrated Quantum Materials, NSF Grant No. DMR-1231319.
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