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Updated: May 2, 2026
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Analysis of Complex Molecules and Their Reactions on Surfaces by Means of Cluster-Induced Desorption/Ionization Mass Spectrometry
Published on: March 1, 2020
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Mechanisms of silicon sputtering and cluster formation explained by atomic level simulations
Peter R Barry1, Patrick Philipp, Tom Wirtz
1Science and Analysis of Materials Department, Centre de Recherche Public - Gabriel Lippmann, 41 Rue du Brill, L-4422, Belvaux, Luxembourg.
Journal of Mass Spectrometry : JMS
|March 13, 2014
Summary
Low-energy ion impacts in secondary ion mass spectrometry cause low sputter yields. Molecular dynamics simulations reveal cluster formation and ejection mechanisms for atomic oxygen and silicon on Si (100).
Area of Science:
- Materials Science
- Surface Science
- Computational Physics
Background:
- Low-energy secondary ion mass spectrometry (SIMS) faces challenges with low sputter yields.
- Understanding the origin of emission products from ion impacts is crucial for SIMS applications.
Purpose of the Study:
- To investigate collision cascade dynamics in low-energy ion bombardment.
- To elucidate cluster formation and ejection mechanisms.
Main Methods:
- Utilized molecular dynamics simulations.
- Employed a reactive force field capable of dynamic bond breaking and formation.
- Simulated atomic oxygen and silicon bombardment of Si (100).
Main Results:
- Detailed explanation of cluster formation processes.
- Analysis of ejection mechanisms for atomic oxygen and silicon.
- Comparison of bombardment outcomes for different ion species.
Conclusions:
- Reactive force field molecular dynamics provides insights into low-energy ion-surface interactions.
- Identified key mechanisms governing cluster formation and ejection in SIMS.
- Simulation results aid in interpreting secondary ion emission in low-energy SIMS.
