Electric field tuning of magnetic states in single magnetic molecules

• URL: http://arxiv.org/abs/2212.08010v1
• Date: Thu, 15 Dec 2022 18:16:28 GMT
• Title: Electric field tuning of magnetic states in single magnetic molecules
• Authors: Yan Lu, Yunlong Wang, Linghan Zhu, Li Yang, Li Wang
• Abstract summary: We propose a new mechanism to realize enhanced spin-electric coupling and flip the spin states by tuning the spin superexchange between local spins. Applying electric field can tune a wide range of magnetic ground states, including ferromagnetic, ferrimagnetic, and antiferromagnetic configurations.
• Score: 21.048521617491502
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: Single magnetic molecules may be the smallest functional magnets. An electric-field controllable spin state of magnetic molecules is of fundamental importance for applications while its realization remains challenging. To date the observed spin-electric interaction based on spin-orbit coupling or spin dipole coupling is useful to tune fine spin structures but too weak to flip the spin state. In this work, we propose a new mechanism to realize enhanced spin-electric coupling and flip the spin states by tuning the spin superexchange between local spins. Using first-principles calculations and Heisenberg Hamiltonian, we demonstrate this effect in a family of magnetic molecules, transition metallic Porphyrins. We show that their d-{\pi} and {\pi}-{\pi} spin superexchange couplings are determined by the relative energies of d and {\pi} electronic states, which are sensitive to the applied electric field. Therefore, applying electric field can tune a wide range of magnetic ground states, including ferromagnetic, ferrimagnetic, and antiferromagnetic configurations. This spin-electric coupling may provide a new approach for designing and controlling molecular spintronics.

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