论文标题
分子自旋量产生的旋转旋转的出现
Emergence of Spinmerism for Molecular Spin-Qubits Generation
论文作者
论文摘要
分子平台被认为是用于量子计算的信息单位中有希望的候选人。本文中，提出了一种结合自旋跨金属离子和自由基配体的策略，该策略是由汉密尔顿模型首先限制在交换相互作用的模型中。不寻常的自旋状态结构从带有两个Doublet-Radical-Radical Rigands的单线/三胞胎通勤金属中心的连锁中出现。基态性质是通过电荷转移调节的，可以表现出三胞胎和单旋局部金属自旋状态的混合物。此外，叠加的最大值为$ 2k_m = k_1 + k_2 $，这表明分子内$ k_m $与金属间rigand $ k_1 $和$ k_2 $直接交换交流之间的必要竞争。结果促进了\ textIt {旋转}，这是金属中心和根部配体的自旋状态之间的量子纠缠的原始表现。该研究提供了对自旋耦合化合物的见解和分子自旋量子的发展的灵感。
Molecular platforms are regarded as promising candidates in the generation of units of information for quantum computing. Herein, a strategy combining spin-crossover metal ions and radical ligands is proposed from a model Hamiltonian first restricted to exchange interactions. Unusual spin states structures emerge from the linkage of a singlet/triplet commutable metal centre with two doublet-radical ligands. The ground state nature is modulated by charge transfers and can exhibit a mixture of triplet and singlet local metal spin states. Besides, the superposition reaches a maximum for $2K_M = K_1 + K_2$, suggesting a necessary competition between the intramolecular $K_M$ and inter-metal-ligand $K_1$ and $K_2$ direct exchange interactions. The results promote \textit{spinmerism}, an original manifestation of quantum entanglement between the spin states of a metal centre and radical ligands. The study provides insights into spin-coupled compounds and inspiration for the development of molecular spin-qubits.
