摘要
Based on the non-equilibrium Green＇s function formalism and spin-polarized density functional theory calcula- tions, we investigate the spin transport properties of HDI and terahydrotetraazahexaeene diimide （4H-TAHDI） with two ferromagnetic zigzag-edge graphene nanoribbon electrodes. Compared with ttDI, four carbon atoms in the hexacene part of 4H-TAHDI are substituted by nitrogen atoms. The results show that the nitrogen substitu- tion can improve significantly the spin-filtering performance and 4H-TAHDI can be used as a perfect spin filter. Our study indicates that suitable chemical substitution is a possible way to realize high-efficiency spin filters.
Based on the non-equilibrium Green＇s function formalism and spin-polarized density functional theory calcula- tions, we investigate the spin transport properties of HDI and terahydrotetraazahexaeene diimide （4H-TAHDI） with two ferromagnetic zigzag-edge graphene nanoribbon electrodes. Compared with ttDI, four carbon atoms in the hexacene part of 4H-TAHDI are substituted by nitrogen atoms. The results show that the nitrogen substitu- tion can improve significantly the spin-filtering performance and 4H-TAHDI can be used as a perfect spin filter. Our study indicates that suitable chemical substitution is a possible way to realize high-efficiency spin filters.
基金
Supported by the National Natural Science Foundation of China under Grant Nos 11104115 and 11374183, the Science Foundation of Middle-aged and Young Scientist of Shandong Province under Grant No BS2013DX036, and the Doctoral Foundation of University of Jinan under Grant No XBS1004.
