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Updated: Dec 11, 2025

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
Identifying materials with charge-spin physics using charge-spin susceptibility computed from first principles
J N B Rodrigues1, Lucas K Wagner1
1Department of Physics and Institute for Condensed Matter Theory, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
Abstract:
The authors present a quantity termed charge-spin susceptibility, which measures the charge response to spin degrees of freedom in strongly correlated materials. This quantity is simple to evaluate using both standard density functional theory and many-body electronic structure techniques, enabling comparison between different levels of theory. A benchmark on 28 layered magnetic materials shows that large values of charge-spin susceptibility correlate with unconventional ground states such as disordered magnets and unconventional superconductivity.
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