Spin Chirality-Induced Spin-electric Coupling and Level Splitting in Three-Center Molecular Magnets
ORAL · Invited
Abstract
Efficient control of quantum spin states of molecular magnets by electric fields is a fundamental problem and an important goal for using molecules in spintronics and quantum information processing. In frustrated triangular single molecule magnets with antiferromagnetic exchange, the lack of inversion symmetry allows a direct and fast electric coupling of low-energy quantum states of opposite spin chirality even in the absence of spin-orbit coupling [1,2,3]. The physical mechanism behind this phenomenon stems from a spin-induced electric dipole moment present in the spin-configurations contributing to the chiral states of the ground-state manifold. The microscopic origin of this effect, based on quantum charge fluctuations in a triangular lattice Hubbard model, is now well understood. Yet, its precise evaluation and elucidation in realistic molecules have been very challenging and call for novel computational methods beyond standard density functional theory [3-6].
On the experimental front, only in recent years has intense activity based primarily on electron paramagnetic resonance spectroscopy demonstrated that this magneto-electric coupling is indeed present and can be used for spin-electric control [7-10].
In this talk we will review the status of this fascinating research area, focusing on the theoretical and computational challenge to establish the classes of three-center molecular magnets displaying the most promising conditions to realize robust chirality-induced spin-electric manipulation relevant for quantum technology.
[1] Bulaevskii et al., PRB 78, 024402 (2008).
[2] Trif et al., PRL 101, 217201, (2008).
[3] M.F. Islam et al., Phys. Rev. B 82, 155 446 (2010).
[4] Johnson et al., J. Chem. Phys., 151, 174105, (2019).
[5] Nossa et al., Phys. Rev. B 107, 245402 (2023).
[6] Islam et al., Phys Rev. B 109, 214407 (2025).
[7] Boudalis et al., et al., Chem. Eur. J. 24, 14896 (2018).
[8] Le Mardelè et al, Nat Comm. 16, 1198 (2025).
[9] Cini et al., Nat. Comm. 16, 6564 (2025).
[10] Tacconi et al. Chem. Sci. (2025) DOI:10.1039/d5sc08012f
On the experimental front, only in recent years has intense activity based primarily on electron paramagnetic resonance spectroscopy demonstrated that this magneto-electric coupling is indeed present and can be used for spin-electric control [7-10].
In this talk we will review the status of this fascinating research area, focusing on the theoretical and computational challenge to establish the classes of three-center molecular magnets displaying the most promising conditions to realize robust chirality-induced spin-electric manipulation relevant for quantum technology.
[1] Bulaevskii et al., PRB 78, 024402 (2008).
[2] Trif et al., PRL 101, 217201, (2008).
[3] M.F. Islam et al., Phys. Rev. B 82, 155 446 (2010).
[4] Johnson et al., J. Chem. Phys., 151, 174105, (2019).
[5] Nossa et al., Phys. Rev. B 107, 245402 (2023).
[6] Islam et al., Phys Rev. B 109, 214407 (2025).
[7] Boudalis et al., et al., Chem. Eur. J. 24, 14896 (2018).
[8] Le Mardelè et al, Nat Comm. 16, 1198 (2025).
[9] Cini et al., Nat. Comm. 16, 6564 (2025).
[10] Tacconi et al. Chem. Sci. (2025) DOI:10.1039/d5sc08012f
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Presenters
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Carlo M Canali
- Linnaeus University