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Pisma v Zhurnal Tekhnicheskoi Fiziki, 2014 Volume 40, Issue 22, Pages 90–96 (Mi pjtf8324)

This article is cited in 1 paper

Elastic scattering of an oxygen atom on a silicon atom in the 10–500 eV range of relative kinetic energies

A. A. Sychevaa, G. G. Balint-Kurtib, A. P. Palovc

a Lomonosov Moscow State University
b School of Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom, BS9 1TC
c Lomonosov Moscow State University, Skobeltsyn Institute of Nuclear Physics

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.

Received: 22.05.2014


 English version:
Technical Physics Letters, 2014, 40:11, 1027–1030

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