MURI: Multiscale Mathematical Modeling and Design Realization of Novel 2 D Functional Materials
Abstract
This MURI focused on developing mathematical tools and related computational methods for modeling the properties of two-dimensional weakly interacting multilayers in close collaboration with experimental challenges and needs. These systems became the subject of intense research efforts starting with the discovery of graphene, followed by the realization of a much broader class of 2D layered structures with semiconducting (like the transition metal di-chalcogenides) or insulating (like hexagonal boron nitride) character. More recently, the discovery of superconductivity and other correlated phases in twisted moire systems with flat bands has our effort to investigate new moire superlattice systems of interest and to derive and simulate models that accurately describe their electronic properties. The novel aspect of this class of materials is the true 2D character of each layer, which interacts weakly through van der Waals forces with adjacent layers. The larger goal in the applied physics and materials communities is to combine these layers in interesting ways that will lead to devices with operational features much improved over traditional materials for optical and electronic applications. The specific goal of this MURI has been to provide the mathematical and computational underpinnings for accurately modeling these materials to guide experimental efforts toward device realization. The MURI project focused on the development of theory and numerical methods to explore the electronic, mechanical, and diffraction properties of incommensurate 2D layered heterostructures. These methods are needed to overcome the limits of approximating incommensurate heterostructures by methods based on periodicity (supercells) and to explore the physics of incommensurate heterostructures.
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 15, 2022
- Accession Number
- AD1195281
Entities
People
- Mitchell Luskin
Organizations
- University of Minnesota