Article ID Journal Published Year Pages File Type
9818132 Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 2005 5 Pages PDF
Abstract
We examined the geometry of self-interstitial atom (SIA) clusters using the pixel mapping (PM) method, on the output data of MD calculations. Perfect crystalline silicon (c-Si) is amorphized by self-irradiation, and we observe that many SIA are produced. During sequential self-irradiation, the most frequently observed species were isolated SIA, i.e. I1 (monomer). The fractions of SIA clusters decreased as I2 (dimer), I3 (trimer), and I4 (tetramer) clusters, respectively. For I2 clusters, the 〈1 1 0〉 oriented I2's were the dominant I2 species, which agree with previous predictions based on static calculations. Nevertheless, other I2's with different orientations were also significant. Some of them have been proposed as intermediate I2's in forming dislocations. The present results imply that irradiation-induced SIA's play an important role in the triggering of amorphization, and MD combined with PM can reveal the intermediate processes underlying extended-defect formation.
Related Topics
Physical Sciences and Engineering Materials Science Surfaces, Coatings and Films
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