Electron energy loss near-edge structures of cubic Si3N4

Electron energy loss near-edge structures of the newly discovered cubic-Si3N4 at the Si L-2,L-3, edge and N K edge have been measured. The same edges were calculated using a first-principles supercell approach, including the core-hole interaction. The experimental spectra at the two edges were satisfactorily reproduced by the calculations, confirming that the present calculation has sufficient predictive power. The difference in spectral shapes between c-Si3N4 and beta -Si3N4 is more clear for the Si L-2,L-3, edge. However, the difference cannot be simply explained by the difference in coordination numbers of Si. (C) 2001 American Institute of Physics.