Abstract
The potential of interaction between oxygen and silicon atoms in a range of interatomic distances within 0.75–11.5 au has been calculated from first principles (ab initio) using the multiconfigurational interaction (MRCI) method with the aug-pp-AVQZ basis set of atomic wave functions. An analytical approximation of the numerically calculated potential is presented. The elastic scattering of oxygen on silicon was studied in the 10–500 eV range of relative kinetic energies. The obtained differential, integral, and transport scattering cross sections and the proposed interatomic potential can be used in the field of nanotechnologies.
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Original Russian Text © A.A. Sycheva, G.G. Balint-Kurti, A.P. Palov, 2014, published in Pis’ma v Zhurnal Tekhnicheskoi Fiziki, 2014, Vol. 40, No. 22, pp. 90–96.
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Sycheva, A.A., Balint-Kurti, G.G. & Palov, A.P. Elastic scattering of an oxygen atom on a silicon atom in the 10–500 eV range of relative kinetic energies. Tech. Phys. Lett. 40, 1027–1030 (2014). https://doi.org/10.1134/S1063785014110285
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DOI: https://doi.org/10.1134/S1063785014110285