QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jchang on February 19, 2023, 06:56

Title: Forcefield potential for dopant diffusion simulation in Si
Post by: jchang on February 19, 2023, 06:56

Hi all,

I try to simulate typical dopant diffusion (B, P, As) in Si, SiGe, and Si/SiGe heterostructure.
I consider to use MD simulation, but I could not find any good potentials.
Then, is the only approach that I can use creating ML-FF?
Please give me any advices on this.

Thanks.
jiwon

Title: Re: Forcefield potential for dopant diffusion simulation in Si
Post by: Ulrik G. Vej-Hansen on February 20, 2023, 09:45

Hi Jiwon

Yes, our ML-FF features (MTP) is what we suggest to use for this problem.

Title: Re: Forcefield potential for dopant diffusion simulation in Si
Post by: jchang on February 20, 2023, 10:07

I see. Thanks for your response.

jiwon