I have developed a new absorber materials and want it simulate it on SCAPS 1D from where which DFT technique i can find its properties. The parameter i want are
1. dielectric permittivity,
2.CB Effective density of states
3. VB Effective density of states
4. Electron Mobility
5. Hole Mobility
6. NA shallow uniform acceptor density
Jasurbek Gulomov
Dear Haseeb Khan,
You need to use one of the DFT code calculate that paramateters.
There are some free and open source codes.
I can recommend one of them which is Quantum Espresso.
If you want to use from interface to work easly, you need to buy Biovia Material Studio.
Sincerely,
Jasurbek Gulomov
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Anand Srivastava
Please share details about the software. I also want to work on some new material.
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