@inproceedings{76d84062cda14c9b9caf96d68414982f,
title = "Efficient Quantum Simulations of Devices Based on 2D Materials Including Vertical Heterojunctions",
abstract = "We present a modelling framework that enables efficient exploration of the electrical performance of devices based on 2D material vertical heterojunctions. Electronic structure data from density functional theory (DFT) simulations is used to extract parameters for k.p Hamiltonians. Material models are then employed in device simulations based on non-equilibrium Green's functions (NEGF) for a quantum-mechanical description of charge transport. Electron-phonon scattering is included in order to account for dissipative phenomena as well as phonon-assisted interlayer charge transport. We demonstrate our methodology with an application to a Dirac-source field-effect transistor (DS-FET) design based on a monolayer molybdenum disulfide channel (ML-MoS2) with a graphene contact.",
keywords = "cold source, NEGF, phonon scattering",
author = "A. Sanchez-Soares and T. Kelly and Su, {S. K.} and E. Chen and Greer, {J. C.} and G. Fagas",
note = "Publisher Copyright: {\textcopyright} 2024 IEEE.; 2024 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2024 ; Conference date: 25-09-2024 Through 27-09-2024",
year = "2024",
doi = "10.1109/SISPAD62626.2024.10733084",
language = "English",
series = "International Conference on Simulation of Semiconductor Processes and Devices, SISPAD",
publisher = "Institute of Electrical and Electronics Engineers Inc.",
booktitle = "2024 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2024",
address = "United States",
}