Electric field tuning of magnetic states in single magnetic molecules
Electric field tuning of magnetic states in single magnetic molecules
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DOI：
10.1103/physrevb.106.064405
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发表时间：
2022-08
影响因子：
3.7
通讯作者：
Yan Lu;Yun-Tong Wang;Linghan Zhu;Li Yang;Li Wang
中科院分区：
文献类型：
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作者：
Yan Lu;Yun-Tong Wang;Linghan Zhu;Li Yang;Li Wang
单个磁分子可能是最小的功能磁体，而磁性分子的旋转状态对于应用程序的挑战至关重要。对于调整微型自旋结构很有用，但在这项工作中太弱，无法翻转旋转状态。通过使用第一原理计算和Heisenberg Hamiltonian来调整局部自旋的旋转状态。由D和π电子状态的相对能量确定，这些态对应用电场敏感。磁接地状态，包括铁磁，铁磁性和抗铁磁构型。
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 - π and π-π spin superexchange couplings are determined by the relative energies of d and π 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.