Modelling ion implantation ranges with ab initio electronic stopping power

Research output: Chapter in Book/Report/Conference proceedingChapterScientificpeer-review


We present the results of combining high-fidelity quantum mechanical simulations of ion-electron interactions, using real-time time-dependent density functional theory (rt-TDDFT), with larger scale atomistic simulations. The larger scale simulations employ a molecular dynamics-based method for efficiently simulating ion ranges. The combination of these methods offers a way to directly compare rt-TDDFT predictions to experimentally measureable quantities in the form of ion ranges and implantation profiles.
Original languageEnglish
Title of host publicationTools for investigating electronic excitation
Subtitle of host publicationexperiment and multi-scale modelling
PublisherUniversidad Politécnica de Madrid
ISBN (Electronic)978-84-09-36032-1
Publication statusPublished - 2021
MoE publication typeA3 Book section, Chapters in research books


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