Abstract
Self-organization and size effects in amorphous silicon have been investigated by modelling of the structure at nanoscale. The size effect related to the disorder in silicon is treated by the free energy balance in nanometric clusters using valence force field theory. The computed structural and energetical parameters of three continuous random network (CRN) models of amorphous silicon with 2,052, 156 and 155 atoms are compared with the experimental values. In order to show the importance of the interfaces between different a-Si clusters, two networks of 200 and 205 atoms were modelled separately and then linked using an amorphous and a crystalline interface. Also the voids in the a-Si clusters are investigated.
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Acknowledgements
The authors thanks to Dr. A. LÅ‘rinczi for the discussions on the subject and kindly acknowledge the financial support of the Ministry of the Education, Research, Youth and Sports (Romania) in the frame of the Contract PN2-162/2,012 (NANOVISMAT).
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Popescu, M., Sava, F., Velea, A. (2014). Self-organization and Size Effects in Amorphous Silicon. In: Kuncser, V., Miu, L. (eds) Size Effects in Nanostructures. Springer Series in Materials Science, vol 205. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-44479-5_2
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