Molecular Dynamics Study on Dielectric Properties of Silicon Oxynitride: Composition and Microstructure Dependence
Extra-long molecular-dynamics simulations are performed to study the interplay between dielectric properties and microstructures of silicon oxynitride. We quantitatively obtained the ionic permittivity and its linear dependence on nitrogen concentration. Analyses on microstructure of the oxynitride show that, as the N concentration increases, N atoms enter Si-O networks creating smaller-sized rings. While overall tendency of dielectric constant is monotonic increase on the N concentration, microscopic characteristics, such as local displacement of atoms, are strongly depend on local bonding environments.
Chazono Hirokazu, Fujihara Shinobu, Katayama Keiichi, Masumoto Hiroshi, Mizoguchi Teruyasu, Osada Minoru, Shinozaki Kazuo and Takeda Hiroaki
M. Tomita and K. Tsuruta, "Molecular Dynamics Study on Dielectric Properties of Silicon Oxynitride: Composition and Microstructure Dependence", Key Engineering Materials, Vol. 485, pp. 287-290, 2011