论文标题
沮丧的三角分子磁铁中自旋态的电控制
Electric control of spin states in frustrated triangular molecular magnets
论文作者
论文摘要
沮丧的三角分子磁体是非常重要的磁分子类别，因为没有反转对称性使外部电场可以直接与表征其基态的自旋手性息息相关。这些分子磁体中的自旋电耦合导致一种有效而快速的操纵自旋状态的方法，使它们成为量子信息处理的令人兴奋的候选者。自旋电耦合的效率取决于这些分子的手性接地态之间的电偶极子耦合。在本文中，我们报告了$ \ {v_3 \} $三角磁分子中自旋耦合的第一原理计算。我们已经明确计算了磁性中心内的自旋诱导的电荷重新分布，该电磁中心负责自旋耦合。此外，我们已经概括了计算自旋耦合强度的方法，以用$ C_3 $对称性计算任何三角形自旋1/2分子，并将其应用于$ \ {v_ {15}} \} $分子磁铁中的耦合强度。
Frustrated triangular molecular magnets are a very important class of magnetic molecules since the absence of inversion symmetry allows an external electric field to couple directly with the spin chirality that characterizes their ground state. The spin-electric coupling in these molecular magnets leads to an efficient and fast method of manipulating spin states, making them an exciting candidate for quantum information processing. The efficiency of the spin-electric coupling depends on the electric dipole coupling between the chiral ground states of these molecules. In this paper, we report on first-principles calculations of spin-electric coupling in $\{V_3\}$ triangular magnetic molecule. We have explicitly calculated the spin-induced charge redistribution within the magnetic centers that is responsible for the spin-electric coupling. Furthermore, we have generalized the method of calculating the strength of the spin-electric coupling to calculate any triangular spin 1/2 molecule with $C_3$ symmetry and have applied it to calculate the coupling strength in $\{V_{15}\}$ molecular magnets.
