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Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
Chemical Engineering of Altermagnetism in Two-Dimensional Metal-Organic Frameworks
Diego López-Alcalá1, Alberto M Ruiz1, Andrei Shumilin1
1Instituto de Ciencia Molecular, Universitat de València, Catedrático José Beltrán 2, 46980 Paterna, Spain.
Journal of the American Chemical Society
|May 14, 2026
Summary
Researchers developed a coordination-chemistry strategy for altermagnetic (AM) spin splitting in 2D metal-organic frameworks (MOFs). This approach enables tunable electronic and AM properties for advanced spintronic devices.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Chemistry
Background:
- Altermagnetism is a novel magnetic phase characterized by nonrelativistic spin splitting driven by lattice symmetry, without net magnetization.
- Two-dimensional (2D) materials offer unique properties for advanced electronic applications.
Purpose of the Study:
- To introduce a general coordination-chemistry strategy for realizing and controlling altermagnetic (AM) spin splitting in 2D Cr-based metal-organic frameworks (MOFs).
- To explore the influence of ligand symmetry and molecular orbital engineering on AM properties.
- To investigate the potential for charge-to-spin conversion in these engineered 2D AM MOFs.
Main Methods:
- Density Functional Theory (DFT) calculations were employed to investigate the electronic and magnetic properties of 2D Cr-based MOFs.
- Ligand symmetry and arrangement were systematically varied to control crystallographic symmetry and induce AM spin splitting.
- Frontier Molecular Orbital Engineering (FMOE) was utilized to achieve selective ligand spin polarization.
- Microscopic magnetic exchange interaction (J) analysis was performed to understand the dominant magnetic coupling mechanisms.
- Spin wave spectrum analysis was conducted to confirm AM spin splitting and observe magnon behavior.
Main Results:
- A coordination-chemistry strategy successfully realized g-wave AM spin splitting up to 65 meV by manipulating ligand symmetry in 2D Cr-based MOFs.
- Frontier Molecular Orbital Engineering (FMOE) enabled d-wave AM anisotropy with spin splitting up to 83.9 meV through selective ligand spin polarization.
- Ligand-mediated interactions were found to dominate over metal-metal coupling, stabilizing the AM order.
- Chiral magnon splitting was observed in the spin wave spectrum, confirming AM spin splitting.
- Experimentally accessible charge-to-spin conversion was demonstrated as a linear response in d-wave and a nonlinear effect in g-wave 2D AM MOFs.
Conclusions:
- Coordination chemistry provides a versatile route for symmetry control in 2D MOFs, enabling the rational design of materials with tunable electronic and AM properties.
- The developed strategy facilitates the creation of 2D molecular materials suitable for next-generation spintronic devices.
- This work highlights the potential of engineered 2D MOFs for novel spintronic functionalities, including efficient charge-to-spin conversion.
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