First-principles study of magnetic properties in Ag-doped SnO2
| Autor: | Wen-Zhi Xiao, Hui-Qiu Deng, Xiao-Fei Li, Ling-Ling Wang, Liang Xu |
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| Rok vydání: | 2011 |
| Předmět: |
Materials science
Condensed matter physics Spin polarization Spintronics Magnetic moment Magnetism Nuclear Theory Doping Electronic structure Condensed Matter Physics Electronic Optical and Magnetic Materials Condensed Matter::Materials Science Ferromagnetism High Energy Physics::Experiment Condensed Matter::Strongly Correlated Electrons Density functional theory Nuclear Experiment |
| Zdroj: | physica status solidi (b). 248:1961-1966 |
| ISSN: | 0370-1972 |
| DOI: | 10.1002/pssb.201046567 |
| Popis: | The electronic structures and magnetic properties of Ag-doped SnO2 have been investigated using first-principles spin-polarized calculations based on density functional theory. Our results demonstrate that Ag doping introduces spin polarization in SnO2 and gives rise to a local magnetic moment of 1.0 µB per substitutional silver ion. The hole-mediated ferromagnetic (FM) coupling between two Ag ions in this material is possibly ascribed to a p–d hopping interaction between O and Ag ions. The oxygen vacancy (VO) plays an important role in determining the magnetic properties of the Ag-doped SnO2 system. It is found that the VO does not induce magnetism in bulk SnO2. The VO enhances stability of the spin-polarized state for the case of the single-Ag-doped system, and imposes an intricate effect on a pair of Ag-doped configurations. For example, the FM coupling between two Ag ions is possibly reinforced if VO is sufficiently far away from them. The result indicates that Ag-doped SnO2 is a promising candidate for applications in future spintronic devices. |
| Databáze: | OpenAIRE |
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