Characterization and modeling of atomically sharp "perfect" Si:Ge/SiO₂ interfaces

Using ab-initio calculations and atomic-resolution Z-contrast imaging and electron energy-loss spectroscopy, we show that oxidation of a germanium-implanted Si surface can produce an atomically-sharp interface with a band structure that seems to be more favorable for use in electronic devices than the usually diffuse interface in Si/SiO₂. Furthermore, we propose an ab-initio based Monte-Carlo model to simulate oxidation of SiGe alloys to better understand the formation of the sharp interface. copyright The Electrochemical Society.