Lectures at Technische Universität Wien

Simulations of two-dimensional materials based devices: from first-principle to circuit design

Two-dimensional materials (2DMs) are considered as a promising technological solution for next-generation electronics. However, due to its embryonic stage, many fabrication issues still have to be solved, and as of now, the real potential this new technology may unleash are still unknown. From this perspective, numerical simulations represent the only available tool in order to assess the real performance of 2DMs-based devices, while aiming at guiding and orienting the fabrication activity.

Within this cycle of lectures, I will present a multi-scale approach for the simulations of two-dimensional material based devices, ranging from the atomistic up to the device and circuit level, which will allow us to assess their performance when exploited in electronic circuits. A simulation activity will be also proposed, exploiting the NanoTCAD ViDES simulation environment.

Table of contents

  • State of the art of Electron devices based on 2D materials
  • Review of physical approaches for the simulation of nanoscale devices based on 2DMs.
  • Overview of first-principle methods for atomistic simulations
  • Device modeling through semi-classical approaches based on top-of-the-barrier models, both in the ballistic and in the drift-diffusion approximations
  • Quantum transport models: introduction to the NEGF approach
  • The tight-binding Hamiltonians of carbon and 2DMs-based devices (Carbon nanotubes, graphene nanoribbons, mono and bilayer graphene, transition metal dichalcogenides etc.)
  • Multi-scale approach: from atoms to the device, i.e., from DFT to NEGF.
  • Laboratory exercises:
    1. Fast prototyping of physical models through the python environment
    2. Simulations of 2DMs devices through the NanoTCAD ViDES simulator
  • Assessment of device performance through device modeling
  • Simulations of circuits based on 2DMs.

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