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Magnetic molecular orbitals in MnSi.

Zhendong Jin1, Yangmu Li2,3,4, Zhigang Hu1

  • 1International Center for Quantum Materials, School of Physics, Peking University, Beijing 100871, China.

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|January 4, 2023
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Summary

Researchers discovered that magnetism in MnSi arises from three-atom molecular orbitals, not individual ions. This finding challenges traditional models and opens new avenues for exploring magnetic quantum materials.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Magnetism

Background:

  • Magnetism is typically explained by models of interacting spins on magnetic ions.
  • Proposals beyond the ionic picture are rare and lack direct experimental verification.
  • Understanding magnetism in itinerant systems is crucial for developing new quantum materials.

Purpose of the Study:

  • To investigate the fundamental magnetic units in the itinerant near-ferromagnet MnSi.
  • To challenge the conventional ionic model of magnetism with experimental evidence.
  • To explore the unexplored regime of spin waves in relation to molecular orbitals.

Main Methods:

  • Inelastic neutron scattering experiments were performed on MnSi.
  • Ab initio calculations were used to obtain magnetic Wannier orbitals.
  • Experimental findings were corroborated with theoretical calculations.

Main Results:

  • The fundamental magnetic units in MnSi are interconnected, extended molecular orbitals of three Mn atoms.
  • This contrasts with the traditional model of individual magnetic ions.
  • An unexplored regime of spin waves was identified where wavelengths approach molecular orbital dimensions.

Conclusions:

  • The study provides a concrete example challenging the ionic picture of magnetism.
  • The findings offer significant insights into the magnetism of MnSi.
  • This work advances the understanding of magnetic quantum materials where symmetry, itinerancy, and correlations interact.