Abstract
The potential energy of the atom–atom interaction, taking into account the Pauli principle, is constructed for atomic potentials that were chosen in the Molière approximation. It is shown that the potential energy of interaction between neon atoms and argon atoms lies above the experimental data, and that between krypton atoms and xenon atoms lies below the experimental data. It is shown that at large distances between xenon atoms the potential interaction energy satisfactorily agrees with the results of calculation by the density functional method, and at small distances between atoms the shielding function of the potential interaction energy lies below that of the Ziegler–Biersack—Littmark (ZBL) potential.
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REFERENCES
R. J. Sadus, J. Chem. Phys. 150, 024503 (2019). https://doi.org/10.1063/1.5080308
V. P. Koshcheev and Yu. N. Shtanov, J. Surf. Invest.: X‑Ray, Synchrotron Neutron Tech. 13, 716 (2019). https://doi.org/10.1134/S1027451019040256
V. P. Koshcheev and Yu. N. Shtanov, Tech Phys. Lett. 44 (7), 566 (2018). https://doi.org/10.1134/S1063785018070088
S. Kawai, A. S. Foster, T. Bjorkman, et al., Nat. Commun. 7, 11559 (2016). https://doi.org/10.1038/ncomms11559
M. G. Medvedev, I. S. Bushmarinov, J. Sun, et al., Science 355 (6320), 49 (2017). https://doi.org/10.1126/science.aah5975
G. Molière, Z. Naturforsch. A 2, 133 (1947).
B. Cordero, V. Gomez, A. E. Platero-Prats, et al., Dalton Trans., No. 21, 28 (2008).
A. M. Sarry and M. F. Sarry, Phys. Solid State 54, 1315 (2012).
J. F. Ziegler, J. P. Biersack, and U. Littmark, The Stopping and Range of Ions in Solids (Pergamon Press, New York, 1985), vol. 1.
R. Smith, Atomic and Ion Collisions in Solids and at Surfaces: Theory, Simulation and Applications (Cambridge University Press, Cambridge, 2005).
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Koshcheev, V.P., Shtanov, Y.N. Potential Energy of Atom—Atom Interaction Taking Into Account the Pauli Principle. J. Surf. Investig. 14, 841–845 (2020). https://doi.org/10.1134/S102745102004028X
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DOI: https://doi.org/10.1134/S102745102004028X