QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: gulian on November 4, 2021, 14:04

Title: Export data for Sentaurus Device
Post by: gulian on November 4, 2021, 14:04
Dear all,

I'm interested in obtaining the parameters required by Sentaurus Device for the Hot-Carrier Stress (HCS) degradation model for a single semiconductor material.

For proper modeling within Sentaurus Device, it is required the detailed information about the carrier energy distribution function (DF), because the DF determines the reaction rates of single-particle (SP) and multiple-particle (MP) processes.
I would like to obtain the carrier distribution function, the total density of states g(E) and the carrier velocity v(E) for some specific valence and conduction bands of the semiconductor material.

In principle, could it be possible to obtain these quantities from QuantumATK? Furthermore, I need to extract them in an ASCII file that will be read as an input by Sentaurus Devices. Is it possible to do so?

I attach an example of the file I need to generate, related to four bands of pure silicon. The DF, which was obtained with the Spherical Harmonics Expansion (SHE) method, g(E) and the v(E) were reported as a function of energy for each band (12 + 1 columns).

Thank you very much for your help!
Title: Re: Export data for Sentaurus Device
Post by: Petr Khomyakov on November 8, 2021, 14:10
It is possible to calculate band velocity as discussed at https://docs.quantumatk.com/manual/Types/calculateVelocity/calculateVelocity.html, as well as density of states https://docs.quantumatk.com/manual/Types/DensityOfStates/DensityOfStates.html (old analysis object for DOS calculations - kept for legacy support) and https://docs.quantumatk.com/manual/Types/ProjectedDensityOfStates/ProjectedDensityOfStates.html (this is a new analysis object - recommended to use).

For carrier distribution analysis, you might consider using https://docs.quantumatk.com/manual/Types/PartialElectronDensity/PartialElectronDensity.html. Note that there is a GUI support for these features. Note that the Fermi-Dirac (equilibrium) distribution is assumed in all the calculations for bulk (not device) configurations. Also, note that this is all single particle distributions.