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