2014
DOI: 10.1002/sia.5608
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Diffusion of cesium in silicon during SIMS experiments investigated by numerical simulations

Abstract: In the present paper, we focus on the diffusion behaviour of cesium atoms implanted into silicon. This aspect has not been investigated directly up to now but is of utmost importance to understand the ionisation mechanisms in more detail. Density functional theory calculations combined with ab initio molecular dynamics simulations have been used to study the different aspects of cesium diffusion to the sample surface as a function of cesium concentration and sample temperature. In general, the solubility of ce… Show more

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Cited by 3 publications
(2 citation statements)
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“…This is not obvious because the cluster ion bombardment creates a much larger perturbation of the surface than monatomic ion bombardment. The large atomic radius of cesium which allows only for a low solubility in silicon and leads to its diffusion from the bulk to the sample surface on time scales smaller than the time difference between two consecutive and overlapping impacts may help at this point. , The diffusion of cesium to the sample surface is also supported by the formation of cesium oxide dots once the sample is taken out of vacuum, although this happens on much longer time scales over several days . In addition, the adhesion of cesium on cesium is low, facilitating its surface diffusion to areas with low cesium surface concentrations.…”
Section: Resultsmentioning
confidence: 99%
“…This is not obvious because the cluster ion bombardment creates a much larger perturbation of the surface than monatomic ion bombardment. The large atomic radius of cesium which allows only for a low solubility in silicon and leads to its diffusion from the bulk to the sample surface on time scales smaller than the time difference between two consecutive and overlapping impacts may help at this point. , The diffusion of cesium to the sample surface is also supported by the formation of cesium oxide dots once the sample is taken out of vacuum, although this happens on much longer time scales over several days . In addition, the adhesion of cesium on cesium is low, facilitating its surface diffusion to areas with low cesium surface concentrations.…”
Section: Resultsmentioning
confidence: 99%
“…This is due not only to the partial mixing of cesium into the sample, but also to the diffusion of cesium to the sample surface on short time scales. In DFT calculations, using some configurations where cesium was only a few atomic layers below the sample surface, the diffusion to the silicon surface took only some picoseconds [23], which is related to the large size of cesium compared to silicon and the stress produced in the silicon lattice [23,24]. Previous results are valid not only for Cs + and Ga + bombardment, but for any monatomic primary ion species, including He + and Ne + , where yield enhancements of up to 5 orders of magnitude were observed (figure 5(b)).…”
Section: Secondary Ion Mass Spectrometrymentioning
confidence: 99%