Sputtering of silicon by low-energy oxygen bombardment studied by MD simulations

摘要: Inthe field ofsecondary ion mass spectrometry, ion–matter interactions havebeen largely investigatedbynumerical 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 capable of simulating the breaking and formation chemical bonds. Important features for systems that undergo significant structural reorganisation are (i) ability account redistribution electron density upon ionization, formation, or bonds, through charge transfer term, (ii) fact angular constraints dynamically adjust when change in coordination number an atom occurs. work, present results obtained simulation low-energy oxygen bombardment crystalline amorphous silicon. Information on variation sputtering yields, energy, distributions as well emission clusters studied. Compared normal fields, matter should be described more accurately, especially using primary ions (oxygen cesium) at low impact energies. Copyright © 2012 John Wiley & Sons, Ltd.