Conduction channels of Al wires at finite bias
Conduction channels of Al wires at finite bias
复制标题
有限偏置下铝线的传导通道
DOI：
10.1103/physrevb.64.121402
复制
发表时间：
2001
影响因子：
3.7
通讯作者：
M. Tsukada
中科院分区：
文献类型：
--
作者：
N. Kobayashi;M. Aono;M. Tsukada
我们报告了在密度泛函理论框架中使用非局部赝势在有限偏置下计算铝原子线的传导通道。使用格林函数计算电子结构，并使用特征通道分解分析传导通道。果冻电极之间的三铝原子线的电导随着偏置电压的增加而略有增加，然后下降，这可以用偏置的各个通道来解释。
We report the calculations of conduction channels of Al atom wires at finite bias using nonlocal pseudopotential in the framework of the density functional theory. Electronic structures are calculated using the Green's function and the conduction channels are analyzed using eigenchannel decompositions. The conductance of a three-Al-atom wire between jellium electrodes decreases after a slight increase with increasing bias voltage, which is explained in terms of the individual channels for the bias.