Half-Metallic Sandwich Molecular Wires with Negative Differential Resistance and Sign-Reversible High Spin-Filter Efficiency
Half-Metallic Sandwich Molecular Wires with Negative Differential Resistance and Sign-Reversible High Spin-Filter Efficiency
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DOI：
10.1021/jp105027y
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发表时间：
2010-12
影响因子：
3.7
通讯作者：
Lu Wang;Xingfa Gao;Xin Yan;Jing Zhou;Zhengxiang Gao;S. Nagase;S. Sanvito;Y. Maeda;T. Akasaka-T.-Akas
中科院分区：
文献类型：
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作者：
Lu Wang;Xingfa Gao;Xin Yan;Jing Zhou;Zhengxiang Gao;S. Nagase;S. Sanvito;Y. Maeda;T. Akasaka-T.-Akas
利用密度泛函理论和非平衡绿色函数方法，我们构建了由Fe或V原子夹在复合分子（Cp*FeCp*，其中Cp* 为C5（CH3）5）之间的金属有机纳米线。我们首次证明了半金属性、负微分电阻和符号可逆的高自旋过滤能力可以在一根金属有机纳米线（FeCp* 线）中显著共存。这使得FeCp* 线在电子学和自旋电子学中很有前途。
Using density functional theory and nonequilibrium Green’s function method, we construct organometallic nanowires that consist of Fe or V atoms sandwiched between composite molecules (Cp*FeCp*, where Cp* is C5(CH3)5). For the first time, we demonstrate that half-metallicity, negative differential resistance, and sign-reversible high spin-filter capability can coexist remarkably in one organometallic nanowire (FeCp* wire). This renders FeCp* wire promising in electronics and spintronics.