Spin crossover complexes in the ground state with a low-spin magnetic ion are usually used to realize electrically-induced spin transition in experiments. We propose that complexes in the ground state with a high-spin magnetic ion are also suitable for this purpose. Taking the molecule [Mn(terpy)₂]²⁺ as an example, our first-principles study shows that the transition from high spin to low spin can be achieved only by adding one electron to the molecule at 0, 300 and 370 K. We further show that such an electron addition can be implemented by integrating the molecule into a two-terminal molecular junction with a moderate bias voltage applied. Moreover, the spin transition related magnetoresistance ratio [R_ST = (I_LS − I_HS)/I_HS] can be up to 400. Therefore, one can easily build room-temperature molecular devices (e.g. molecular transistors and memory devices) working on the electrically-induced spin transition when using our proposed complexes. Note that our proposed complexes should feature a high-spin magnetic ion of 3d⁵ (3d⁴) in a nearly octahedral structure and several pyridine moieties directly coordinated to this magnetic ion, but are not limited to the molecule [Mn(terpy)₂]²⁺.

中文翻译：

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在室温下利用高自旋Mn ^II配合物实现偏压诱导的自旋转变

具有低自旋磁性离子的基态自旋交叉络合物通常用于在实验中实现电诱导的自旋跃迁。我们提出具有高自旋磁性离子的基态复合物也适用于此目的。以分子[Mn（terpy）₂ ] ²⁺为例，我们的第一性原理研究表明，仅通过在0、300和370 K下向分子添加一个电子，就可以实现从高自旋到低自旋的跃迁。我们进一步表明，可以通过在施加适度偏置电压的情况下将分子整合到两个末端的分子结中来实现这种电子加成。此外，自旋跃迁相关的磁阻比[ R _ST =（I _LS− I _HS）/ I _HS ]可以高达400。因此，当使用我们提出的配合物时，可以很容易地构建室温分子器件（例如分子晶体管和存储器件）来进行电诱导的自旋跃迁。请注意，我们提出的络合物应具有近似八面体结构的3d ⁵（3d ⁴）高自旋磁性离子，并且几个吡啶部分直接与该磁性离子配位，但不仅限于分子[Mn（terpy）₂ ] ²⁺。