Enhanced stability and ferromagnetic property in transition metals co-doped rutile TiO2
| Autor: | Dirtha Sanyal, Homnath Luitel, Sujata Roy |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Materials science
Condensed matter physics Dopant Doping 02 engineering and technology General Chemistry Magnetic semiconductor 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences 0104 chemical sciences Condensed Matter::Materials Science Transition metal Ferromagnetism Rutile Condensed Matter::Superconductivity Density of states Condensed Matter::Strongly Correlated Electrons General Materials Science Density functional theory 0210 nano-technology |
| Zdroj: | Journal of Physics and Chemistry of Solids. 146:109582 |
| ISSN: | 0022-3697 |
| Popis: | Stability and magnetic property analysis have been done for 3d transition metal doped rutile TiO2 using density functional theory. Applying spin polarized density of states calculation and spin-spin interaction study wherever possible, it has been seen that among all the 3d transition metal dopants only Fe doping can induce ferromagnetism in the TiO2 system. Anti-ferromagnetic spin ordering has been seen for Mn and Cu doped rutile TiO2. Though Mo is not a 3d transition metal but is from the next series and shows favorable ferromagnetic spin ordering. For the purpose of increasing the ferromagnetic ordering in the systems, co-doping studies have been performed for Cu–Mn, Cu–Fe and Fe–Mo co-doped systems. For the above three co-doped systems, it has been seen that even those elements whose solo-doping shows anti-ferromagnetic ordering (Mn, Cu) can generate long range cooperative type ferromagnetic ordering after co-doping. So co-doping can be used as an interesting and useful tool to increase ferromagnetic ordering of diluted magnetic semiconductor oxide systems. |
| Databáze: | OpenAIRE |
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