Defect induced local moment in ZnO as a consequence of Stoner mechanism |
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| Authors: | Hirak Kumar Chandra Priya Mahadevan |
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| Institution: | 1. Department of Chemistry, University of Warwick, Coventry CV4 7AL, UK;2. Department of Physics, University of Warwick, Coventry CV4 7AL, UK;3. ISIS Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX, UK;1. Key Laboratory of Ecological Impacts of Hydraulic-Projects and Restoration of Aquatic Ecosystem of Ministry of Water Resources, Institute of Hydroecology, Ministry of Water Resources and Chinese Academy of Sciences, Wuhan 430079, PR China;2. School of Resources and Environmental Engineering, Wuhan University of Technology, 122 Luoshi Road, Wuhan 430070, PR China;1. Institute of Nanoscience and Nanotechnology, University of Kashan, Kashan 87317-51167, Iran;2. Department of Physics, University of Kashan, Kashan 87317-51167, Iran |
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| Abstract: | We have examined the formation of a local moment by considering various defects in ZnO. The localization of the defect induced state is found to determine the presence/absence of a local moment. A lot of attention on the probable origin of magnetism in wide band gap oxides has focused on cation vacancies. Here we show that oxygen interstitial atoms give rise to a large magnetic moment which results in a spin polarization of both the conduction and valence bands, in addition to spin polarized gap states. A Stoner mechanism is invoked and the relevant Stoner parameters are determined to be 0.7 eV for an oxygen atom in the presence of an oxygen interstitial but reduced to 0.2 eV on oxygen in the presence of a Zn vacancy. |
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