Ab-initio simulations on growth and interface properties of epitaxial oxides on silicon
arXiv:cond-mat/0504256 · doi:10.1016/j.mee.2005.04.100
Abstract
The replacement of SiO2 by so-called high-k oxides is one of the major challenges for the semiconductor industry to date. Based on electronic structure calculations and ab-initio molecular dynamics simulations, we are able to provide a consistent picture of the growth process of a class of epitaxial oxides around SrO and SrTiO3. The detailed understanding of the interfacial binding principles has also allowed us to propose a way to engineer the band-offsets between the oxide and the silicon substrate.
6 pages, 6 figures, proceeding for the INFOS2005 conference (http://www.imec.be/infos/)