Electronegativity and doping in semiconductors

Chroneos, A.; Schwingenschlögl, U.; Schuster, C. and Grimes, R. W. (2012). Electronegativity and doping in semiconductors. Journal of Applied Physics, 112(4), article no. 046101.

DOI: https://doi.org/10.1063/1.4747932


Charge transfer predicted by standard models is at odds with Pauling's electronegativities but can be reconciled by the introduction of a cluster formation model [Schwingenschlogl et al., Appl. Phys. Lett. 96, 242107 (2010)]. Using electronic structure calculations, we investigate p- and n-type doping in silicon and diamond in order to facilitate comparison as C has a higher electronegativity compared to Si. All doping conditions considered can be explained in the framework of the cluster formation model. The implications for codoping strategies and dopant-defect interactions are discussed.

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