Multiscale Materials Modeling Group
Universidad de Valladolid
Project VA097P17, funded by 
The progress in nanoelectronic technology involves the growth of SiGe layers with high Ge content or pure Ge on Si. The lattice misfit between Si and Ge impose stringent requirements to the formation of atomically flat layers, and instead, 3D nanostructures are formed, that, if properly controlled, they could be used in non-conventional devices. Because of the nanometric dimensions of these structures, their fabrication requires control at atomic level. The goal of this project is to provide an atomistic view of the mechanisms involved in the strain release during SiGe nanostructure growth. To do so, we will use atomistic simulation techniques. Molecular dynamics will be used to get fundamental information of the atomic mechanisms. This information will be fed to the Lattice Kinetic Monte Carlo code in order to perform atomistic simulations of processes and structures at realistic scale. Some particular aspects addressed in this project are the interdiffusion of Si and Ge, the effect of the layer widness and their correlation with the growth modes. The system SiGe on Si has not only great technological relevance, but it is also a prototype of the strain effect on different epitaxial growth modes. Therefore its study will also contribute to a better understanding of other materials and alloys. This project will be performed by the Multiscale Materials Modeling research group, with the collaboration of Synopsys Inc.