Script for calculating the effective mass in semi-conductors.

[Anders Blom]

There is now a Custom Analyzer for computing the effective mass with ATK 11.2, with an associated tutorial! Enjoy

The new script is "less intelligent", the task of deciding the relevant directions is put on the user instead. It was the only way one could avoid either having an overly complex script which tried to do a lot of guesswork (which probably just fails in some cases anyway) or a pure Python workflow. But in the end it's not more difficult to use the new Analyzer than the old script (in fact simpler in many ways), it just doesn't do all masses at once, you have to do a bit more arithmetic yourself

[zegna]

Hi to all!
I am new at this forum.
This method of calculating the effective mass is only applied to Si or can be applicaple on other semi,for example Silica(dioxide of silicon)?

If not,how could i calculate the effective mass of electrons and holes on silica?

Thanks a lot,

[Anders Blom]

The script is general, but of course one has to adjust which band and which k-point you look at.

[zegna]

Thanks for your reply,
I just found the information i was looking for,despite the fact i hadnt run the script due to time pressing as i will have to present my diploma at about one week,

so i searched around the site and it is a great site,i didnt have any idea of such rich and useful material!
But these things require enouph time for spend, so I ll come back soon to learn more

[ams_nanolab]

Is it okay to run this analyzer for Extended Huckel calculations in other semiconductors?

[Anders Blom]

Sure