Physics – Condensed Matter – Materials Science
Scientific paper
2009-05-08
Appl. Phys. Lett. 94, 192503 (2009)
Physics
Condensed Matter
Materials Science
3 pages, 3 figures
Scientific paper
10.1063/1.3136904
In this letter, the authors present a study of the energetics and magnetic interactions in Fe doped ZnO clusters by ab-initio density functional calculations. The results indicate that defects under suitable conditions can induce ferromagnetic interactions between the dopant Fe atoms whereas antiferromagnetic coupling dominates in a neutral defect-free cluster. The calculations also reveal an unusual ionic state of the dopant Fe atom residing at the surface of the cluster, a feature that is important to render the cluster ferromagnetic.
Dasgupta Indra
Ganguli Nirmal
Sanyal Biplab
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