Abstract
Charge transfer ΔQ = 0.35e at the Si-N bond in silicon nitride is determined experimentally using photoelectron spectroscopy, and the ionic formula of silicon nitride Si 3 +1.4 N 4 -1.05 is derived. The electronic structure of α-Si 3 N 4 is studied ab initio using the density functional method. The results of calculations (partial density of states) are compared with experimental data on X-ray emission spectroscopy of amorphous Si 3 N 4 . The electronic structure of the valence band of amorphous Si 3 N 4 is studied using synchrotron radiation at different excitation energies. The electron and hole effective masses m e * ≈ m h * ≈ 0.5m e are estimated theoretically. The calculated values correspond to experimental results on injection of electrons and holes into silicon nitride. © 2010 Pleiades Publishing, Ltd.