There’s a lot of research activity on new electronic and optoelectronic devices based on vertical heterostructures of 2D materials, because there are many materials available and even more combinations.
To accelerate materials selection and to support experiments it is important to be able to simulate their behaviour in a way that is quantitatively predictive and computationally doable.
This is the reason for our new paper on Phys. Rev. Applied: Multiscale Pseudoatomistic Quantum Transport Modeling for van der Waals Heterostructures (pdf available)
Kudos to Giuseppe Lovarelli, Gaetano Calogero, and Gianluca Fiori.
In the paper, we propose a computationally effective and physically sound method to model electron transport in 2D van der Waals heterostructures, based on a multiscale approach and quasiatomistic Hamiltonians.
This is something important for us in the Quantum Engineering for Machine Learning project, where we use devices based on lateral and vertical heterostructures of 2D materials to demonstrate analog neural networks. For example, we use the method for computing the leakage current through the vertical stack of an analog non volatile memory.
link to the paper: https://journals.aps.org/prapplied/abstract/10.1103/PhysRevApplied.18.034045
link to the Queformal project website: https://www.queformal.eu