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Updated: Dec 5, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Full-band quantum transport simulation in the presence of hole-phonon interactions using a mode-space k·p approach
Hamilton Carrillo-Nuñez1, Cristina Medina-Bailón, Vihar P Georgiev
1School of Engineering, University of Glasgow, Glasgow, G12 8LT, United Kingdom.
Abstract:
Fabrication techniques at the nanometer scale offer potential opportunities to access single-dopant features in nanoscale transistors. Here, we report full-band quantum transport simulations with hole-phonon interactions through a device consisting of two gates-all-around in series and a p-type Si nanowire channel with a single dopant within each gated region. For this purpose, we have developed and implemented a mode-space-based full-band quantum transport simulator with phonon scattering using the six-band k · p method. Based on the non-equilibrium Green's function formalism and self-consistent Born's approximation, an expression for the hole-phonon interaction self-energy within the mode-space representation is introduced.
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