First-principles calculations of noncollinear magnetization densities in quantum spin liquid candidate materials

ORAL

Abstract

Neutron scattering has proven successful at observing signatures of quantum spin liquids (QSLs) including fractionalized excitations, however, accurate magnetic form factors are needed to analyze the data. These are commonly treated in an isolated, isotropic ion approximation. But the local magnetic degrees of freedom in QSL candidate materials are jeff=1/2 moments which are anisotropic [1], hybridize with nearby anions, and, as we show, exhibit intra-atomic noncollinearity in the magnetization density. These features are liable to notably affect neutron scattering measurements and move beyond the basic magnetic form factor. We propose specific scattering directions for neutron experiments to maximally detect the unique quality of the magnetization density in these materials.



[1] Colin L. Sarkis et al, Phys. Rev. B 109, 104432 (2024).

*This work was led by the U.S. Department of Energy (DOE), Office of Science, National Quantum Information Science Research Centers, Quantum Science Center. JV acknowledges startup funding from Middle Tennessee State University.

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Publication: Colin L. Sarkis et al, Phys. Rev. B 109, 104432 (2024).

Presenters

  • John W Villanova

    • Middle Tennessee State University

Authors

  • John W Villanova

    • Middle Tennessee State University

  • Colin Sarkis

    • Oak Ridge National Laboratory

  • Casey J Eichstaedt

    • National Renewable Energy Laboratory (NREL)

  • Adolfo German Eguiluz

    • University of Tennessee

  • Stephen E Nagler

    • University of Tennessee

  • Tom Berlijn

    • Oak Ridge National Laboratory