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Updated: May 9, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
A comparison of formulations and non-linear solvers for computational modelling of semiconductor devices
Sergi Pérez-Escudero1, David Codony1, Irene Arias1,2
1Laboratori de Càlcul Numèric, Universitat Politècnica de Catalunya (UPC), Barcelona, Spain.
Abstract:
The drift-diffusion formulation, modelling semiconductor materials in terms of carrier densities and electric potential, is considered together with an alternative formulation in terms of dimensionless logarithmic quantities. Stability of both formulations in presence of sharp variations with a Galerkin Finite Element discretisation is assessed in two realistic problems: a p-n junction and an n-MOSFET device. The robustness with respect to the initial guess and the computational efficiency of the Newton-Raphson and Gummel non-linear solvers are also compared.
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