Multiscale atomistic modelling of CVD: From gas-phase reactions to lattice defects

Publication date: 15 Nov 2023

JournalSource: LEGACY

Growth from vapour/gas/plasma phases is a key process to produce high-quality nanostructures and thin films. The quest for high performances at low cost calls for the development of modelling strategies able to accurately predict growth rates and structure morphology under a variety of process conditions. In the semiconductor nanotechnology, Lattice Kinetic Monte Carlo (LKMC) is considered an advanced approach for simulating selective epitaxy of semiconductors by Chemical Vapor Deposition (CVD). However, state-of-the-art LKMC tools often neglect fundamental aspects such as lattice defects and chemical reactions, both in the vapor phase and around the evolving surface. We present a multiscale workflow for modelling CVD growth and etching processes also accounting for these critical phenomena. We implement it in the open-source KMC super-Lattice (KMCsL) code MulSKIPS , whose peculiar design …

Publisher
Pergamon
Origin
Materials Science in Semiconductor Processing
Legacy ID
fe846f6e119078eec67cc8d8e62c8ad6
Biblio references
Volume: 167 Pages: 107792