Properties of Hydrogenated Nanoporous SiC: An Ab Initio Study

Abstract

Nanoporous silicon carbide is part of the important organosilicate class of low dielectric constant alloys. We report first-principles microscopic calculations of the properties of crystalline nanoporous SiCH systems. Properties examined include the density, pore size, dielectric constant, and strain moduli. We examined the relationship between the various properties and the amount of hydrogen in the material. In addition, the bonding topology is examined. The present results are compared with a variety of experiments.