How the solid state matrix affects the chemical shift of core-level binding energies: A novel method to take the induction effect into account

摘要

The interpretation of chemical shifts in high resolution photoemission core level spectra of mixed oxides as they occur in high-k dielectrics requires that charge transfer beyond the first coordination shell be taken into account. We present a scheme which allows us to include these so-called induction effects. The method is a judicious extension of Sanderson's original approach towards network structures. At each point of departure from Sanderson, our method is tested successfully against the rigorous Sanderson formalism. For three examples of relevance in semiconductor technology, our new method yields results in excellent agreement with experiment. (c) 2006 Elsevier Ltd. All fights reserved.