Manipulating Spin Transport via Vanadium−Iron Cyclopentadienyl Multidecker Sandwich Molecules
Manipulating Spin Transport via Vanadium−Iron Cyclopentadienyl Multidecker Sandwich Molecules
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DOI：
10.1021/jp902718h
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发表时间：
2009-04
影响因子：
3.7
通讯作者：
Jian-chun Wu;Xuefeng Wang;Liping Zhou;H. Da;K. Lim;Shuo‐Wang Yang;Zhen-ya Li
中科院分区：
文献类型：
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作者：
Jian-chun Wu;Xuefeng Wang;Liping Zhou;H. Da;K. Lim;Shuo‐Wang Yang;Zhen-ya Li
基于密度泛函理论，在线性响应区对夹在磁性镍电极之间的(CpFeCpV)n多层导线的电子自旋输运进行了模拟。我们研究了分子−电极接触和分子导线长度对其自旋过滤行为的影响。自旋过滤效率的大小和符号可以通过选择接触条件(例如，锚定基团、镍电极表面的吸收位置)来控制。自旋滤光器的性能可以通过调节分子线的长度来进一步操纵。给出了实现近乎完美的自旋滤光器的各种方法。
Electronic spin transport through (CpFeCpV)n multidecker wire sandwiched between magnetic nickel (Ni) electrodes is simulated in the linear response regime based on DFT. We studied the effects of the molecule−electrode contact and molecule wire length on its spin filter behavior. The amplitude and the sign of the spin filter efficiency can be manipulated by choosing the contact condition (e.g., anchoring groups, absorbing positions on Ni electrodes surface). The performance of the spin filter can be further manipulated by adjusting the length of the molecule wire. Various ways to realize nearly perfect spin-filter are illustrated.