Focused electron beam induced deposition (FEBID) is a powerful technique for 3D-printing of complex nanodevices. However, for resolutions below 10 nm, it struggles to control size, morphology and composition of the structures, due to a lack of molecular-level understanding of the underlying irradiation-driven chemistry (IDC). Computational modelling is a tool to comprehend and further optimise FEBID-related technologies. Here we utilise a novel multiscale methodology which couples Monte Carlo simulations for radiation transport with irradiation-driven molecular dynamics for simulating IDC with atomistic resolution. Through an in depth analysis of W(CO)6 deposition on SiO2 and its subsequent irradiation with electrons, we provide a comprehensive description of the FEBID process and its intrinsic operation. Our analysis reveals that these simulations deliver unprecedented results in modelling the FEBID process, demonstrating an excellent agreement with available experimental data of the simulated nanomaterial composition, microstructure and growth rate as a function of the primary beam parameters.
@article{arxiv.2006.04085,
title = {Multiscale simulation of the focused electron beam induced deposition process},
author = {Pablo de Vera and Martina Azzolini and Gennady Sushko and Isabel Abril and Rafael Garcia-Molina and Maurizio Dapor and Ilia A. Solov'yov and Andrey V. Solov'yov},
journal= {arXiv preprint arXiv:2006.04085},
year = {2020}
}