Radical based molecular transport system as good molecular spintronics device predicted by first-principles study
| Autor: | Jing Zhang, K.L. Yao |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
General Computer Science
Spintronics Field (physics) Condensed matter physics Chemistry Magnetoelectric effect General Physics and Astronomy 02 engineering and technology General Chemistry 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Computational Mathematics Magnetization Mechanics of Materials Molecule General Materials Science Density functional theory 0210 nano-technology Sign (mathematics) Spin-½ |
| Zdroj: | Computational Materials Science. 133:93-98 |
| ISSN: | 0927-0256 |
| DOI: | 10.1016/j.commatsci.2017.03.009 |
| Popis: | Using a first-principles approach based on non-equilibrium Green’s functions combing density functional theory, the transport properties of “radical-σ-radical” molecule sandwiched between two gold leads are investigated. The strong negative differential resistance (DNR) effect and spin filtration are obtained. We also find that the bias can manipulate the spin current sign and the magnetization configuration, which indicates that such molecular transport system (TS) has strong magnetoelectric effect and promises potential applications in the field of molecular spintronics in the future. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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