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Sputtering of silicon by low-energy oxygen bombardment studied by MD simulations by Patrick Philipp; Tom Wirtz; John Kieffer is a Engineering article available to read on EtoBox.

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In the field of secondary ion mass spectrometry, ion–matter interactions have been largely investigated by numerical simulations. For molecular dynamics simulations related to inorganic samples, mostly classical force fields assuming stable bonding structure have been used. In this paper, we will use a reactive force field capable of simulating the breaking and formation of chemical bonds. Important features of this force field for simulating systems that undergo significant structural reorganisation are (i) the ability to account for the redistribution of electron density upon ionization, formation, or breaking of bonds, through a charge transfer term, and (ii) the fact that the angular constraints dynamically adjust when a change in the coordination number of an atom occurs. In this work, we present results obtained for the simulation of low‐energy oxygen bombardment of crystalline and amorphous silicon. Information on variation of sputtering yields, energy, and angular distributions as well as the emission of clusters are studied. Compared to normal force fields, ion–matter interactions as well as the sputtering of matter should be described more accurately, especially when usin

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Author

Patrick Philipp; Tom Wirtz; John Kieffer

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley; Research Square (ISSN 0142-2421)

Published

2012

Language

EN

Field

Engineering (Physical Sciences)