Electronic and optical properties of acetylene and ethylene on Si(001)

摘要: Abstract In this work, we present the results of ab-initio theoretical calculations concerning electronic and optical properties Si(001) surface covered by small hydrocarbon molecules, namely acetylene ethylene. As a result adsorption process, both molecules are covalently bonded to surface, point out analogies differences two systems under study. The most stable configurations have been taken into account at different coverages. We will show how band structure reflectance anisotropy spectra supply additional indirect information geometry saturation coverage, that longly debated.