Atomistic Modeling of Strained SiGe Nanofins

Abstract

We utilize a hierarchical approach to atomistic modeling with density functional theory (DFT) calculations being used together with experimental observations to determine parameters for molecular dynamics (MD) potentials and kinetic lattice Monte Carlo (KLMC) simulations. MD and KLMC are used to model epitaxial growth and impurity redistribution in strained group IV alloy nanostructures.