Delocalization of the effective interaction for inner-shell ionization in crystals

Abstract

The delocalization of the effective interaction for inner-shell ionization by electrons in crystals is investigated. In particular (Formula presented)- and (Formula presented)-shell ionization in Mo and GaAs by 400 keV incident electrons is modeled from first principles using Hartree-Fock bound-state wave functions and the results are compared with experimental data in the literature. The delocalization of the effective interaction for (Formula presented)-shell ionization can be substantially different from simple estimates of the delocalization used to date. © 1998 The American Physical Society.