Messages

1

General Questions and Answers / Export data for Sentaurus Device

« 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!

2

General Questions and Answers / Re: Get MTP calculator from previous training

« on: November 3, 2021, 11:01 »

Dear Anders, dear Suresh,

thank you very much for your answers.

Indeed, it was really easy to read the MTP set from both the .hdf5 and the .mtp files. I tried both approaches and they work fine.

Best regards,

Gianfranco

3

General Questions and Answers / Get MTP calculator from previous training

« on: October 29, 2021, 13:45 »

Dear all,

as a first step, by following the notes for the MomentTensorPotentialTraining class (see https://docs.quantumatk.com/manual/Types/MomentTensorPotentialTraining/MomentTensorPotentialTraining.html#momenttensorpotentialtraining-c), I obtained a trained MTP potential set, stored in the mtp_study.hdf5 file.

Then, I would like to get the calculator that employes this potential set, as explained in the example:

Code

mtp_calculator = moment_tensor_potential_training.momentTensorPotentialCalculators()[0]

How can I achieve this by reading the "mtp_study.hdf5" file? Alternatively, what is the procedure to obtain a suitable calculator from the MTPPotential instantiated from the "mtp_study.mtp" file?

Thank you very much for you help!

Best regards