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The Einstein-de Haas effect in an Fe15cluster.

T Wells1, W M C Foulkes2, S L Dudarev2

  • 1Department of Materials and Thomas Young Centre, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|August 11, 2023
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Summary

This study introduces a quantum mechanical model to simulate the Einstein-de Haas effect in iron clusters. The model, including spin-orbit coupling, accurately reproduces magnetic properties and shows its necessity for angular momentum transfer.

Keywords:
Einstein-de HaasStoner magnetismelectronic structure methodsspin-lattice couplingspin–orbit couplingtight binding

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Area of Science:

  • Condensed Matter Physics
  • Quantum Mechanics
  • Materials Science

Background:

  • Classical spin-lattice coupling models fail to accurately predict ferromagnetic material properties like heat transport and magnetic moment collapse.
  • These limitations stem from the inadequate treatment of quantum mechanical effects, particularly spin-orbit coupling (SOC).

Purpose of the Study:

  • To introduce a novel time-dependent, non-collinear tight binding model incorporating SOC and vector Stoner exchange.
  • To simulate the Einstein-de Haas (EdH) effect in a ferromagnetic iron (Fe15) cluster using this advanced model.
  • To investigate the role of SOC in angular momentum transfer between electrons and nuclei.

Main Methods:

  • Development and application of a time-dependent, non-collinear tight binding model.
  • Inclusion of spin-orbit coupling (SOC) and vector Stoner exchange terms.
  • Simulation of the Einstein-de Haas (EdH) effect in a Fe15 cluster under an external magnetic field.

Main Results:

  • The model successfully simulates the Einstein-de Haas (EdH) effect from first principles in an Fe cluster.
  • Adiabaticity timescales governing the response of angular momenta to magnetic fields were investigated.
  • Spin-orbit coupling (SOC) was identified as essential for observing electron-to-nucleus angular momentum transfer at realistic magnetic field strengths.

Conclusions:

  • The developed tight binding model provides an accurate framework for studying quantum effects in ferromagnetic materials.
  • The findings highlight the critical role of spin-orbit coupling in phenomena like the Einstein-de Haas effect.
  • This work offers a first-principles simulation of the EdH effect, advancing the understanding of magnetic materials.