Theoretical ELNES fingerprints of BC2N polytypes

Electron energy-loss near-edge fine structures are calculated for sp3-bonded BC2N polytypes to provide theoretical fingerprints for characterization. The calculation is based on an ab initio plane wave pseudopotential method from density functional theory. The core–hole effect is included, and the transition matrix element is explicitly evaluated. Spectral features that can be used to distinguish the different structures are identified and discussed.