Effects of Hydrogen Atoms on Passivation and Growth of Microcrystalline Si

Abstract

AbstractEffects of hydrogen atoms bonded to silicon atoms on microcrystalline surfaces in a μc-Si:H and anodized porous silicon have been investigated using infrared spectroscopic technique and a semi-empirical molecular-orbital calculation (AM1 method). Experimental results on thermal stability of the Si-H bonds and oxidation of H-covered Si can be explained consistently in terms of system total energies and heats of formation of various clusters constructed by 13–18 Si and 18–24 H atoms (with an additional 0 atom). Possible role of H on the growth of μ c-Si:H is discussed in relation to stable Si-H bonds.