Structural identification and ultrafast spin manipulation of [Co₃Ni]⁺EtOH

Laser-induced spin dynamics on ligand-attached magnetic structures can be exploited to create spin-logic elemenents [1-3]. In this joint experimental and theoretical study we characterize the heterotetranuclear magnetic cluster [Co₃Ni]⁺EtOH, and suggest ultrafast magnetic switching scenarios on the Co atoms, as well as a cyclic spin-SHIFT register.

We structurally identify the cluster, which is synthesized using a molecular beam experiment, by comparing the experimentally measured and the theoretically computed O-H stretching frequencies of both the intact and dissociated EtOH ligand. To this end, we use the state-of-the-art equation-of-motion quantum chemical method to compute the energy along the O-H vibrational normal mode, and thus we can also extract phonon-spin coupling constants. Our results show that out of many possible stereoscopic isomers, the energetically prefered geometry is a pyramidal one. Our findings can help pave the way towards realization of nanospintronic devices.

[1] W. Jin, M. Becherer, D. Bellaire, G. Lefkidis, M. Gerhards, and W. Hübner, Phys. Rev. B. 89, 144409 (2014)
[2] D. Chaudhuri, W. Jin, G. Lefkidis, and W. Hübner, J. Chem. Phys. 143, 174303 (2015)
[3] W. Jin, D. Chaudhuri, C. Li, G. Lefkidis, and W. Hübner, J. Supercond. Nov. Magn. 30, 801 (2017)