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• W2896105946 abstract "Small cobalt clusters [Formula: see text] and their single chromium atom doped counterparts Co n-1Cr+ (n = 3-5) were studied mass spectrometrically by measuring the infrared multiple photon dissociation (IRMPD) spectra of the corresponding argon tagged complexes. The geometric and electronic structures of the [Formula: see text] and Co n-1Cr+ (n = 3-5) clusters as well as their Ar complexes were optimized by density functional theory (DFT) calculations. The obtained lowest energy structures were confirmed by comparing the IRMPD spectra of [Formula: see text] and [Formula: see text] (n = 3-5, m = 3 and 4) with the corresponding calculated IR spectra. The calculations reveal that the doped Co n-1Cr+ clusters retain the geometric structures of the most stable [Formula: see text] clusters. However, the coupling of the local magnetic moments within the clusters is altered in a size-dependent way: the Cr atom is ferromagnetically coupled in Co2Cr+ and Co3Cr+, while it is antiferromagnetically coupled in Co4Cr+." @default.
• W2896105946 created "2018-10-26" @default.
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• W2896105946 date "2018-11-07" @default.
• W2896105946 modified "2023-10-11" @default.
• W2896105946 title "Structures and magnetic properties of small ${{rm Co}_{n}^{+}}$ and Co_<i>n</i>−1Cr⁺ (<i>n</i> = 3–5) clusters" @default.
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• W2896105946 doi "https://doi.org/10.1088/1361-648x/aae7b3" @default.
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