School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074, China.
J Chem Phys. 2013 Jul 14;139(2):024309. doi: 10.1063/1.4813406.
The structural, electronic, and magnetic properties of one-dimensional vanadium-cyclooctatetraene[(V-COT)]∞ wire and sandwich clusters are investigated by means of density functional theory. It is found that the (V-COT)∞ SMW is half-metallic. Through the spin transportation calculations, the system for V-COT clusters coupled to gold electrodes performs nearly perfect spin filters. In addition, the I-V curve shows obviously negative differential resistance effects. These results suggest the potential applications of (V-COT)∞ in spintronics.
采用密度泛函理论研究了一维钒-环辛四烯[(V-COT)]∞ 线和夹心簇的结构、电子和磁性。结果发现(V-COT)∞ SMW 是半金属的。通过自旋输运计算，V-COT 团簇与金电极耦合的系统表现出近乎完美的自旋滤波器。此外，I-V 曲线显示出明显的负微分电阻效应。这些结果表明(V-COT)∞在自旋电子学中有潜在的应用。
