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First-Principles Study of Magnetic Properties of 3dTransition Metals Doped in ZnO Nanowires
The defect formation energies of transition metals (Cr, Fe, and Ni) doped in the pseudo-H passivated ZnO nanowires and bulk are systematically investigated using first-principles methods. The general chemical trends of the nanowires are similar to those of the bulk. We also show that the formation e...
| Autores principales: | , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Springer
2009
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2893854/ https://www.ncbi.nlm.nih.gov/pubmed/20596488 http://dx.doi.org/10.1007/s11671-009-9260-7 |