Spin-dependent structural, electronic and transport properties of armchair graphyne nanoribbons doped with single transition-metal atom, using DFT calculations
| Autor: | S. Golafrooz Shahri, R. Radfar, Mahmood Rezaee Roknabadi |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Materials science
Spintronics Condensed matter physics business.industry Doping 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Electronic Optical and Magnetic Materials Graphyne Semiconductor Transition metal 0103 physical sciences Atom Density functional theory 010306 general physics 0210 nano-technology business Spin (physics) |
| Zdroj: | Journal of Magnetism and Magnetic Materials. 443:96-103 |
| ISSN: | 0304-8853 |
| DOI: | 10.1016/j.jmmm.2017.07.039 |
| Popis: | In this present paper, the non-equilibrium Green function (NEGF) method along with the density functional theory (DFT) were used to investigate the effect of doping a single transition-metal atom on transport and electronic properties of armchair graphyne (γ-graphyne) nanoribbons. It can be deduced from the results that among the doped TM atoms, Mn and Fe cause stronger polarized currents comparing to Co and Ni. Mn-AGyNR represents the features of a half-semiconductor and behaves like a semiconductor in both up and down spin channels. On the other hand, Fe-AGyNR shows a great potential in spintronic applications due to its half-metal properties. Also our results show the promising application of armchair graphyne nanoribbons in nano-electrical devices. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect