论文标题
隧道屏障到自旋滤波器：过渡金属原子的电子传输特性，该特性封装在最小的三尿酸盐笼中
Tunnel Barrier to Spin Filter: Electronic Transport Characteristics of Transition Metal Atom Encapsulated in Smallest Cadmium Telluride Cage
论文作者
论文摘要
我们报告了对基于理论的比较电子传输研究，该研究对AU，Bare CD9TE9 CAGE样群和单过渡金属（TM）（Ti，V，Cr，Mn，Mn，Mn，Fe，Fe，ni，Cu，ni，cu，cu，zn，ru，ru，rh，pd）进行的原子链进行了。裸露的簇是半导体的，充当隧道屏障，直到特定的应用偏置，除此之外，该设备具有线性电流 - 电压关系。笼子中包裹的几个TM（Ti，V，Cr，Mn，Fe）在设备的I-V特性中显示出半金属的行为和自旋滤波效应。对金属，半导体和半金属纳米结构的I-V特性进行了详细的定性和定量分析。
We report first principles theory-based comparative electronic transport studies performed for an atomic chain of Au, bare Cd9Te9 cage-like cluster and single transition metal (TM) (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd) atom encapsulated within the Cd9Te9 using Au(111) as electrodes. The bare cluster is semiconducting and acts as a tunnel barrier up to a particular applied bias and beyond that, the device has a linear current-voltage relationship. Several TM (Ti, V, Cr, Mn, Fe) encapsulated in the cage show half-metallic behavior and spin filtering effect in the I-V characteristics of the device. A detailed qualitative and quantitative analysis of I-V characteristics for metallic, semiconducting, and half-metallic nanostructures has been carried out.
