Exploring the stability of twisted van der Waals heterostructures
Publication date
2020-10-07
Document type
Research article
Author
Organisational unit
ISSN
Series or journal
ACS applied materials & interfaces
Periodical volume
12
Periodical issue
40
First page
45214
Last page
45221
Peer-reviewed
✅
Part of the university bibliography
✅
Keyword
Graphene
Heterostructures
Molecular dynamics simulations
Molybdenum disulfide
Twist deformation
Twistronics
Abstract
Recent research showed that the rotational degree of freedom in stacking 2D materials yields great changes in the electronic properties. Here, we focus on an often overlooked question: are twisted geometries stable and what defines their rotational energy landscape? Our simulations show how epitaxy theory breaks down in these systems, and we explain the observed behavior in terms of an interplay between flexural phonons and the interlayer coupling, governed by the moir{\'e} superlattice. Our argument, applied to the well-studied MoS2/graphene system, rationalizes experimental results and could serve as guidance to design twistronic devices.
Version
Not applicable (or unknown)
Access right on openHSU
Metadata only access