Core Level Shifts in Semiconductors: A Study of the Electrostatic Model

摘要

A different electrostatic model is proposed for core level shift calculation in semiconductors on the basis of a critical analysis of so-called bond charge model by Bechstedt et al. The population of valence charge on anion and on cation is no longer a linear function of Phillips ionicity, fsub(i), and a set of additive covalent radii is used instead of a non-additive one. A phenomenological expression is given for bond charge which decreases as ionicity, fsub(i), increases. The results are in agreement with experiments, and the reasons for errors are explained. (ERA citation 11:003242)