A comparison between experimental and theoretical electron energy loss near edge structure (ELNES) of B and N K edges in cubic boron nitride is presented. The electron energy loss spectra of cubic boron nitride particles were measured using a scanning transmission electron microscope. The theoretical calculation of the ELNES was performed within the framework of density functional theory including single particle core-hole effects. The results suggest that core-hole effects can be adequately incorporated into the plane-wave pseudopotential method to produce striking agreement with the best available experimental spectra.

• Received 18 January 2001

DOI:https://doi.org/10.1103/PhysRevB.64.115107