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The magnetic properties of single- and multicomponent trimers of heavy p-elements of Groups IV-VI (Pb, Bi, Te) with a pronounced relativistic effect, as well as their anions and cations, are studied. Spin and orbital magnetic moments of the considered clusters are calculated using the formalism of the density functional theory. For most clusters, calculations reveal nonzero magnetic moments. It is shown that the spin-orbit coupling significantly affects the spin magnetic moment in such clusters. The energy of magnetic anisotropy is calculated for all neutral and charged trimers and the direction of the easy magnetization axis is determined.

The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters Ni13 − n Al n (n = 0–13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic clusters. A tendency of Al atoms to segregate on the cluster surface has been revealed in agreement with the experimental data. The calculations of the atomic vibrations have shown the nonmonotonic dependence of the minimum and maximum vibration frequencies of cluster atoms on its composition and the coupling of their extreme values with the most stable atomic configuration. The increase in the number of Al atoms leads to the shift of the frequency spectrum and the substantial redistribution of the localization of vibrations on the cluster atoms., This work was supported by the Russian Foundation for Basic Research (project no. 15-02-0271-7a) and the St. Petersburg State University (project no. 11.50.202.2015).

The binding energy, equilibrium geometry, and vibration frequencies of free clusters Cu n (2 ≤ n ≤ 20) are calculated using the potentials of interatomic interactions found using the tight-binding approximation. The nonmonotonic dependence of the clusters' minimum vibration frequency on their sizes and the extreme values for the number of atoms in a cluster n = 4, 6, 13, and 19 is demonstrated. It is noted that this result agrees with the theoretical and experimental data on stable structures of small and medium metallic clusters. © 2013 Pleiades Publishing, Ltd.