论文标题
高度可行的电子传输计算，定期铑和铜纳米结构
Highly parallelizable electronic transport calculations in periodic Rhodium and Copper nanostructures
论文作者
论文摘要
我们扩展了高度可行的开源电子传输代码Transec，以在横向尺寸的周期性边界条件下执行真实空间原子尺度的电子传输计算。我们证明了Transec在周期性的CU和RH散装结构以及大量周期性RH点接触中的使用，以准备进行跨RH晶界的反射概率的计算。
We extend the highly-parallelizable open-source electronic transport code TRANSEC to perform real-space atomic-scale electronic transport calculations with periodic boundary conditions in the lateral dimensions. We demonstrate the use of TRANSEC in periodic Cu and Rh bulk structures and in large periodic Rh point contacts, in preparation to perform calculations of reflection probability across Rh grain boundaries.
