Spin filtering and rectifying effects in the zinc methyl phenalenyl molecule between graphene nanoribbon leads
| Autor: | Chang-Ming Tan, Ke-Qiu Chen, Chang-Yong Chen, Ji-Feng Yu, Yan-Hong Zhou |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
02 engineering and technology
01 natural sciences law.invention Biomaterials symbols.namesake Computational chemistry law 0103 physical sciences Materials Chemistry Molecule Physics::Chemical Physics Electrical and Electronic Engineering 010306 general physics Chemistry Graphene General Chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics Electronic Optical and Magnetic Materials Magnetic anisotropy Zigzag Ferromagnetism Chemical physics Electrode symbols Density functional theory 0210 nano-technology Raman spectroscopy |
| Zdroj: | Organic Electronics. 28:244-251 |
| ISSN: | 1566-1199 |
| DOI: | 10.1016/j.orgel.2015.10.038 |
| Popis: | The molecule zinc methyl phenalenyl (ZMP), which is a neutral planar phenalenyl-based molecule, has been successfully synthesized experimentally, and large magnetic anisotropy was demonstrated when it is grown on the ferromagnetic metal surface [K. V. Raman et al. Nature, 2013, 493 , 509]. Here, by using nonequilibrium Green's functions combined with the density functional theory, we investigate the electronic transport properties in the ZMP molecule coupled to graphene nanoribbon (GNR) leads. When the ZMP molecule is linked to zigzag GNR (ZGNR) electrodes, perfect spin-filtering effect and large spin-rectifying effect are found. And when the ZMP molecule is coupled to armchair GNR (AGNR) electrodes, rectifying effect is obtained and the rectifying directions can be manipulated by substituting the hydrogen atoms at the edge of ZMP molecule with atoms oxygen or nitrogen. The above interesting properties can be used for the next generation nanoscale device. Analyses are proposed for these phenomena. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect