QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: vijayd on December 23, 2019, 12:03

Title: Building Quantum Well Structure
Post by: vijayd on December 23, 2019, 12:03

Can anyone provide the procedure for simulation of GaAs/AlGaAs Quantum Well  Structure using Quantumwise?
Thanks in advance.

Title: Re: Building Quantum Well Structure
Post by: Petr Khomyakov on December 24, 2019, 12:23

Do you mean how to build a heterostructure such as ... GaAs/AlGaAs/GaAs/AlGaAs ... or something else? Otherwise, what do you exactly mean by "the procedure for simulation ..."?  I think the procedure depends very much on your research goals and available computational resources.

Title: Re: Building Quantum Well Structure
Post by: vijayd on December 24, 2019, 13:51

Thanks for the response..

Yes, I am talking about heterostructure GaAs/AlGaAs/GaAs/AlGaAs. I want to find the electrical and optical characteristics of it. Also, I would like to use it at terahertz frequency and find the characteristics such as quantum efficiency, responsivity, detectivity. Can I able to do it ?     

Title: Re: Building Quantum Well Structure
Post by: Petr Khomyakov on December 28, 2019, 19:23

What you can do in QuantumATK is to build atomic structure of GaAs|AlGaAs and calculate its electronic structure (electron density, electron potential, band structure, electron wave functions = Bloch states), e.g., at density functional theory (DFT) level. Then you would be able to compute Optical Spectrum using the corresponding analysis object, see https://docs.quantumatk.com/manual/Types/OpticalSpectrum/OpticalSpectrum.html, or compute photocurrent https://docs.quantumatk.com/manual/Types/Photocurrent/Photocurrent.html and https://docs.quantumatk.com/tutorials/photocurrent/photocurrent.html (see also a reference therein on application of QuantumATK for solar cells).

Title: Re: Building Quantum Well Structure
Post by: vijayd on December 28, 2019, 19:40

Thanks Petr for the detailed steps .