I try to simulate a ZnO based MQW LED by ATLAS Silvaco. However, it doesn't lead to a meaningful IV and Luminous spectra. The structure is as p-ZnO (cladding)/MgxZn1-xO(barrier)/CdyZn1-yO(well)/MgxZn1-xO(barrier)/n-ZnO. The written code is also attached.
I'd check material parameters. MgZnO and CdZnO is not very common materials, I think there are no appropriate material parameters in the database (especially for k.p. calculations) and Silvaco uses some default values (from, say, Silicon or some III-N).
Dmitri Arteev
Hi, Thank you for your kind response. I checked the band diagram of the designed structure and I found both VBM & CBM at 0 eV. I supposed the program goes forward correctly when no stop happens during running! But, it seems you are right. I need to define the variation of bandgap of MgxZn1-xO and CdyZn1-yO with x and y. But I need more guide.
Dear Ali,
I agree the database of Silvaco is not adequate specially for the poor k.p quantum approach. You may switch for the more advanced quantum models in Victory package, also from Silvaco
Muhammad Hamza El-Saba
Thank you for the useful tip. We are trying to resolve the problem. Dmitri is a great help. If you are interested you can share your idea. Then we can report the results. Best Regards...Ali
Dear Ali,
I just want to add the following note for you and colleagues who are simulating MQW laser devices, using Selvaco tools (with Atlas and Luminous). The dielectric function and refraction index are static in Silvaco and hence not accurate. In fact, the band structure calculation tools, such as the k.p method is very crude and only gives the ground state, not the excited state. More advanced models, such as NEGF-DFT and other perturbation methods is more adequate. I know that Silvaco has recently acquired the NEGF quantum simulator NEMO5 and incorporated it in its new simulation package Victory.
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