Discovery of a silicon-based ferrimagnetic wheel structure in VxSi12− (x = 1–3) clusters: photoelectron spectroscopy and density functional theory investigation†
Abstract
Our studies show that VSi12− adopts a V-centered hexagonal prism with a singlet spin state. The addition of the second V atom leads to a capped hexagonal antiprism for V2Si12− in a doublet spin state. Most interestingly, V3Si12− exhibits a ferrimagnetic, bicapped hexagonal antiprism wheel-like structure with a total spin of 4μB.