Rotationally invariant formulation of spin-lattice coupling in multiscale modeling

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2023
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Mankovsky, Sergiy
Polesya, Svitlana
Ebert, Hubert
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Physical Review B. American Physical Society (APS). 2023, 108(6), L060404. ISSN 2469-9950. eISSN 2469-9969. Available under: doi: 10.1103/physrevb.108.l060404
Zusammenfassung

In the spirit of multiscale modeling, we develop a theoretical framework for spin-lattice coupling that connects, on the one hand, to ab initio calculations of spin-lattice coupling parameters and, on the other hand, to the magnetoelastic continuum theory. The derived Hamiltonian describes a closed system of spin and lattice degrees of freedom and explicitly conserves the total momentum, angular momentum, and energy. Using a numerical implementation that corrects earlier Suzuki-Trotter decompositions we perform simulations on the basis of the resulting equations of motion to investigate the combined magnetic and mechanical motion of a ferromagnetic nanoparticle, thereby validating our developed method. In addition to the ferromagnetic resonance mode of the spin system, we find another low-frequency mechanical response and a rotation of the particle according to the Einstein–de Haas effect. The framework developed herein will enable the use of multiscale modeling for investigating and understanding a broad range of magnetomechanical phenomena from slow to ultrafast timescales.

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ISO 690WEISSENHOFER, Markus, Hannah LANGE, Akashdeep KAMRA, Sergiy MANKOVSKY, Svitlana POLESYA, Hubert EBERT, Ulrich NOWAK, 2023. Rotationally invariant formulation of spin-lattice coupling in multiscale modeling. In: Physical Review B. American Physical Society (APS). 2023, 108(6), L060404. ISSN 2469-9950. eISSN 2469-9969. Available under: doi: 10.1103/physrevb.108.l060404
BibTex
@article{Weienhofer2023-08-23Rotat-67749,
  year={2023},
  doi={10.1103/physrevb.108.l060404},
  title={Rotationally invariant formulation of spin-lattice coupling in multiscale modeling},
  number={6},
  volume={108},
  issn={2469-9950},
  journal={Physical Review B},
  author={Weißenhofer, Markus and Lange, Hannah and Kamra, Akashdeep and Mankovsky, Sergiy and Polesya, Svitlana and Ebert, Hubert and Nowak, Ulrich},
  note={Article Number: L060404}
}
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