Author:

Keywords:

CoCr, Chromium, DFT, clusters, Magnetism, IRMPD, IR-MPD, geometric and electronic structures

Abstract:

The magnetism in transition metals is one of the most intensively studied properties of bulk matter. A better understanding of magnetism, especially in small particles, is crucial not only for basic physics but also for both the recording industry and the nanotechnologies. (1–2) The magnetism of small cobalt clusters, aggregates of a few cobalt atoms, is of great scientific interest to understand how magnetic properties evolve from single atoms to bulk materials. Furthermore, doped cobalt clusters are of interest to investigate how a single dopant atom may modify the ferromagnetic interaction in cobalt clusters. In this work, the geometric and electronic structures of small cobalt clusters Con+ (n = 3–5) and single chromium atom doped cobalt clusters Con-1Cr+ are investigated by comparing infrared multiple photon dissociation (IR-MPD) spectra with density functional theory (DFT) calculations, aiming to explore the doping effect of chromium upon cobalt clusters.