Abstract
We present a comprehensive theory for impurity states in semiconductors. We find that when “true” impurity potentials are employed, the effective-mass theory is valid only for substitutional impurities whose core is isoelectronic to the host-atom core (isocoric impurities) independently of whether the resulting level, is shallow or relatively deep. By formulating the problem in terms of pseudopotential theory we obtain a more general theory which is valid for non-isocoric impurities as well, and in, fact reduces to the “true”-potential formalism in the case of isocoric impurities. We are thus able to directly predict binding energies for a variety of shallow and deep impurities. The theory also supplies new physical understanding of the effectivemass concept and of the mechanisms that determine the binding energies of impurities. Finally, we discuss impurity-like localized states in semiconductors.
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References
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Pantelides, S.T. (1975). Theory of impurity states in semiconductors. In: Queisser, H.J. (eds) Festkörperprobleme 15. Advances in Solid State Physics, vol 15. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0107377
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DOI: https://doi.org/10.1007/BFb0107377
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