Structure of Amorphous Silicon Nitried (a-Si₃N₄)

Abstract

Computer simulation, using the molecular dynamics (MD) technique, has been carried out on an silicon nitride (a-Si₃N₄) with simple Busing-type potentials. Furthermore, the local structure of chemical vapor-deposited (CVD) a-Si₃N₄ has been studied at the Si Kedge by the use of a laboratory XAFS system. From the MD simulation and XAFS results, the short-range structural arrangement of a-Si₃N₄ comprises tetrahedral SiN₄ units. The MD and XAFS results presented in this study also indicate that there exist only a small number defects such as dangling bonds.