Ab initio investigation of the role of the bridging atoms to the spin transferability between magnetic centrers
Final Report Abstract
In this extension of the project, we investigated the roles of various bridging atoms/ligands and the phonon-spin coupling on our optically driven lambda processes in a series of new structures. We found that both of the (non)metallic bridging atoms and ligands can lower the high symmetries of the structures, relocate the electron densities of the magnetic centers, and facilitate the spin scenarios, which is consistent with our previous work. As the focus of this extension, we studied spin-phonon coupling, as one of the mediators of the lambda processes, in more detail. The results showed that the phononic modes have strong influence on the electronic structures of the systems, which therefore affects the behavior and feature of the spin dynamics. The main influences are: (a) For the cluster Ni3Na2, five different magnetic phases are found resulting from the phonon-spin coupling, among which only two phases allow for spin transfer manipulation; (b) the fitness of the spin scenario in Ni dimer is highly dependent on the interatomic distance as well as the correlation channels; (c) for Co3+, the phononic modes are fully characterized and calculated and the corresponding spin dynamics is investigated by attaching the ligand CO, which can serve as a promising candidate to study the effect of spinphonon coupling on spin functionality for future application. All these results provide us a deep and better understanding of the relationships between phonon and spin dynamics, and thus can promote the targeted designing of more successful nanostructures.
Publications
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First-principles study of the ultrafast, laserinduced spin transferability in the multi-center magnetic cluster Ni3Na2, J. Supercond. Nov. Mag. 26, 2001 (2013)
H. P. Xiang, G. Lefkidis, and W. Hübner
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Laser-induced ultrafast spin dynamics on homonuclear magnetic structures, PhD thesis (2013)
W. Jin
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Magnetic quantum diesel engine in Ni2, Phys. Rev. B 88, 214421 (2013)
C.D. Dong, G. Lefkidis, and W. Hübner
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Controllable spin-dynamics cycles and ERASE functionality on quasilinear molecular ions, Phys. Rev. B 89, 184404 (2014)
C. Li, S. Zhang, W. Jin, G. Lefkidis, and W. Hübner
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Infrared and electronic absorption spectra as well as ultrafast spin dynamics in isolated Co3+(EtOH) and Co3+(EtOH,H2O) clusters, Phys. Rev. B 89, 144409 (2014)
W. Jin, M. Becherer, D. Bellaire, G. Lefkidis, M. Gerhards, and W. Hübner
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Laser control of ultrafast spin dynamics on homodinuclear iron- and nickel-oxide clusters, Phys. Rev. B 89, 024419 (2014)
W. Jin, C. Li, G. Lefkidis, and W. Hübner
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Effect of the variation of the bond length on laser-induced spin-flip scenarios at Ni2. In: Bigot JY., Hübner W., Rasing T., Chantrell R. (eds) Ultrafast Magnetism I, Part of the Springer Proceedings in Physics book series (SPPHY) volume 159 (2015), pp 159-161. Springer, Cham
D. Chaudhuri, G. Lefkidis, A. Kubas, K. Fink, and W. Hübner
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Ultrafast spin flip on homodinuclear clusters. In: Bigot JY., Hübner W., Rasing T., Chantrell R. (eds) Ultrafast Magnetism I, Part of the Springer Proceedings in Physics book series (SPPHY) volume 159 (2015), pp 134-136. Springer, Cham
W. Jin, C. Li, G. Lefkidis, and W. Hübner
