User-defined material simulation : User-defined material simulation

Requires: Mocasim, TonyPlot Minimum Versions: Mocasim 5.16.0.R

This example demonstrates how to override the default material and simulation parameters.

The material command is used to override the default materials parameters. The dc_dielectric parameter is used to set the DC dielectric constant. The energy_gap parameter is used to set the three energy gaps of the three- valley model. The energy gaps must be defined in the order Gamma, L, and X. So in this example the direct (Gamma) band gap is being set to 1.4 eV.

On the initialize statement the burn_in parameter is used to set the number of time steps we run before we start calculating the transport parameters. This is so that the non-physical initial distribution of electrons does not affect the results. The num_time_step parameter is used to set the number of time steps we use to actually calculate the transport parameters. The more time steps are used, the more accurate the results will be, but the longer the simulation will take.

The print statement is used to output the parameters used in the Monte Carlo simulation. This file contains the "internal" parameters (such as number of time steps, the energy range over which the scattering is calculated), the "material" parameters (such as band-gaps, electron masses, dielectric constants), and the "scattering" parameters (such as phonon energies and deformation potentials).

To load and run this example, select the Load button in DeckBuild > Examples. This will copy the input file and any support files to your current working directory. Select the Run button in DeckBuild to execute the example.