M.A. Strzhemechny1, V.V. Danchuk1,2, and I.V. Legchenkova1
1B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine 47 Nauky Ave., Kharkiv 61103, Ukraine
2Exact Sciences Faculty, Department of Physics, Ariel University, POB 3, 407000, Ariel, Israel
Received June 19, 2017
In order to explain the anomalies documented in structure studies of dilute solid mixtures of argon in krypton, we calculated positions of atoms in a spherical cluster of 9 layers. The interaction was approximated by the Lenard–Jones potential. The respective substitution volumes ω have been evaluated. Our results are compared with the generally accepted estimates obtained within the nearest-neighbor approximation. We show that ω for the argon in krypton cluster is roughly twice as less than it follows from standard evaluations. This effect can be explained by the fact that the krypton atoms in the first coordination sphere feel an additional repulsion from their neighbors, which also tend to be closer to the center.
PACS: 61.66.Bi Elemental solids; PACS: 61.72.Ji Point defects (vacancies, interstitials, color centers, etc.) and defect clusters.