The medium-sized charged YbSin± (n = 7-13) clusters: A relativistic computational investigation

► Most of the charged YbSin (n = 7-13) clusters keep frameworks as the neutrals, and the geometries of 8a+, 9a+, 10a+, and 13a+ are significant deformed, which are reflected from the calculated VIPs and AIPs values. The charged YbSi8 cluster is actually the most stable isomer. ► According to the calculated HOMO-LUMO gaps of the clusters, one finds that the HOMO-LUMO gaps for the charged YbSin (n = 7-13) clusters are smaller than those of the neutrals, reflecting that the removed or obtained charge influences the HOMO-LUMO gaps of neutral clusters. ► The calculated results show that the YbSin (n = 7-13) clusters are the nonmagnetic structures because the f orbitals are filled completely, which are not involved in the chemical bonding.