How to determine energy levels theoretically in a material. A wide band gap material doped with impurities. Could it be a tool to cross check the results obtained experimentally?
There exists several different model to describe impurity-related levels in solids.
1) Effective mass approximation (EMA). EMA is suitable to describe shallow shallow impurity levels, i.e. such impurities in which electron is spreaded over many atoms of the host lattice.
2) Delta potential model (Lucovsky model). This model is suitable to describe deep levels, i.e. levels, which are very strongly localized in the host lattice.
3) Quantum defect model (QDM). QDM is generalized model, which can be applied to shallow, intermediate as well as deep levels.
For details, see the references below:
M.Cordona, Fundamentals of Semiconductors,
Ch. Kittel, Solid state physics,
S. T. Pantelides, Deep Centers in Semiconductor,
J. Burguen and M. Lanno, Point Defects in Semiconductors.
A.M. Stoneham, Theory of defects in solids.
Dear Dmitriy,
Thank you for your valuable answer. I would definitely consider this. Do you have any information about the research groups (around the world) who are working with these models?
Publications of Prof. P Dorenbos and his group can be of your help. He is also on R-Gate.
Pieter Dorenbos
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