This work was supported by the National Natural Science Foundation of China (Grant Nos. 11674039 and 61771076), the Scientific Research Fund of Hunan Provincial Education Department of China (Grant No. 17C0032).
机构署名：
本校为第一且通讯机构
院系归属：
物理与电子科学学院
摘要：
Using nonequilibrium Green's function combined with density functional theory, we investigate the spin-resolved transport properties of a single porphycene molecular device with the zigzag graphene nanoribbon electrodes from first-principles calculations. The calculated results show that the width and the relative position of the electrode play an important factor in the spin-resolved I-V characteristics of this molecular device. When a single porphycene molecule connects to electrodes straightly, the device exhibits a significant spin-filterin...
