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Long-distance coupling between magnetic centers in ultrafast spin transfer: Dynamic Goodenough-Kanamori-Anderson rules

Jing Liu1,*, Yiming Zhang2,3,4, Shuai Xu3,5, Kanchan Sarkar1, Chun Li3,5,†, Wei Jin6, Wolfgang Hübner7, and Georgios Lefkidis3,7,‡

  • *Contact author: liujing391@gmail.com
  • †Contact author: lichun@nwpu.edu.cn
  • ‡Contact author: lefkidis@rptu.de
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Phys. Rev. B 113, 024436 – Published 28 January, 2026

DOI: https://doi.org/10.1103/x6tr-2bzd

Abstract

Using state-of-the-art quantum chemistry, we present a microscopic mechanism for ultrafast laser-induced long-range spin transfer in carbon chains to which two magnetic atoms (Ni) are attached. Here, the Ni atoms function as spin carriers, while the carbons provide the delocalized conjugated pz-character orbitals to bridge them. First, we establish that the key to the whole process is the virtual excitations between the localized Ni atomic orbitals, and the conjugated orbitals, through which the two Ni atoms can indirectly couple to each other. Second, the efficiency of dynamic interaction depends on the orbital phases of carbon atoms bonded to Ni, with longer-distance transfers benefiting from favorable degeneracies and phase alignments. Third, even when conjugated orbitals interact with only one Ni atom, their coherent superposition facilitates long-distance spin coupling. Fourth, the different structural characters between cis and trans configurations result in distinct spin-transfer behavior. Fifth, the spin-transfer speed and efficiency are tunable based on the position of magnetic centers. We name this set of interaction mechanisms dynamical Goodenough-Kanamori-Anderson (GKA) rules, because it resembles the well-known static GKA rules, in which the nature of the indirect metal-to-metal coupling (i.e., ferromagnetic versus antiferromagnetic) is dictated by the occupancy of the degenerate pz orbitals of the bridging oxygen. Unlike in the static case, the spin density here is dynamically transferred between two Ni atoms via well-designed laser pulses.

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Phys. Rev. B 113, 024436– Published 28 January, 2026
  • Received 11 March 2025
  • Revised 7 September 2025
  • Accepted 6 January 2026
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