problem in Simulation of double quantum well (DQW)

[ajit sahu]

Hello sir,

No doubt Aestimo 1D is a great tool for numerical simulations for different structures. However I face difficulty in convergence then reduced damping value to 0.3, and reduced a layer in structure then it converges still i got some error in the wavefunction i.e. asymmetric wave function for symmetrical structure. And when I change fermi_np_scheme=True for computation_scheme = 3 and meff_method = 2, the simulation doesn't run, it gets stuck in middle.

Please find below my consideration:-

1.Used aestimo for conduction band calculation
2.computation_scheme = 2

3.meff_method = 0

4.fermi_np_scheme = False

5.boundary_scheme = 0

6.DQW structure
material =[[ 2.0, 'AlGaAs', 0.3, 2e18, 'n'],

            [ 5.0, 'AlGaAs', 0.3, 0.0, 'n'],

            [ 15.0, 'GaAs', 0, 0, 'n'],

            [2.0, 'AlGaAs', 0.3, 0.0, 'n'],

            [ 15.0, 'GaAs', 0, 0, 'n'],

            [ 5.0, 'AlGaAs', 0.3, 0.0, 'n'],

            [ 2.0, 'AlGaAs', 0.3, 2e18, 'n']]

7.T=4 K

I changed the below values of variable in config file

damping = 0.3

max_iterations=300

convergence_test=1e-6

There are some warnings during simulation

"WARNING Have processed all energy levels present and so can't be sure that Ef is below next higher energy level."

"WARNING psi_at_inf_cython module not found"

I need some help regarding how to converge without reducing structure layers and "fermi_np_scheme=True" problem.

Thanking You

[h.h...@yahoo.fr]

Hi,

Try use aestimo_eh instead, currently focusing on that branch,  copy the file into the example folder and run it :

\aestimo\examples>python sample_double_qw_barrierdope_ingaas.py

Best regards

Hamza

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[ajit sahu]

Hello Sir,
Thank you for your quick response.

is there any documentation about aestmio_eh script?

I am unable to understand about quantum regions,vmax,vmin and surface.