MODHET · Modelling 2D Transition Metal Dichalcogenide Heterostructures
Horizon 2020 — Marie Skłodowska-Curie Actions
- Duration
- 2017-03-03 → 2019-03-02
- EU contribution
- €171,461
- Participants
- 1
- Scheme
- MSCA-IF-EF-ST
Lines connect the coordinator with its partners.
Results in brief
Modelling 2D Transition Metal Dichalcogenide Heterostructures
The availability of stable atomic thin layers of 2D crystal enable the realization of van der Waals materials by stacking different layer materials together. The studies of 2D van der Waals materials will significantly expand the field of 2D materials and eventually lead to new development of condense matter physics and next generation of 2D electronic device applications. The quantum engineering in these artificial structures and architectures with desired and tailored properties requires microscopic understanding of the physical properties of 2D crystals and the interaction between them, which is the issue being addressed in this project. Nevertheless, these studies contains many aspects and developing rapidly. The overall objective of this project is focus on studying the electronic and plasmonic properties and electron-electron correlations in van der Waals 2D materials, in particular, the 2D TMD heterostructures.
Data: CORDIS, © European Union
Project objective
Although TMDs have been studied for decades, studies have been mostly limited to bulk materials. The properties of TMDsin atomically thin 2D forms can be significantly different from those in the bulk, such as the size of the band gap, the natureof the band gap (direct versus indirect), the existence of tightly-bound charged excitons. The physics of heterostructuresformed by stacking different kinds of TMD layers are even more versatile and unexpected. While recent studies haveexperimentally demonstrated the possibility of synthesizing such novel 2D materials, the present project aims to study thesenew types of materials from a theoretical standpoint. We will perform state-of-the-art first-principles simulations using themost advanced exchange-correlation functionals developed in the host group for the accurate description of dynamical andcharge transfer process within the time dependent density functional theory (TDDFT) as well as many-body perturbationapproaches using the GW self-energy and including excitonic effects at the level of the Bethe Salpeter equation. We willalso develop and implement new multi-scale algorithms in the codes needed to handle some of the tasks detailed in theproject. This European Fellowship project will be hosted by a leading expert in the field, Prof. Angel Rubio of the Universityof the Basque Country (Spain). The project will also involve collaboration with top international experiment groups. Thetheoretical results acquired in this project will be used to guide and compare to experimental results with the goal ofdeveloping novel devices for future advances in nanoelectronics, photoelectronics and plasmonics. The progress of thisproject in exploring and understanding new physics of 2D TMDs and developing novel devices will have profound impacts oncondensed matter physics, material science, as well as nano- and bio-science in the next decade.
Original text from CORDIS.
Participants
- MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV · MUNCHENCoordinatorGermany
Links
Data: CORDIS, © European Union