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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/9289

Title: High temperature ferromagnetism in Fe-Doped ZnO: a density functional investigation
Authors: KARMAKAR, D
DASGUPTA, I
DAS, GP
KAWAZOE, Y
Keywords: exchange
Issue Date: 2007
Publisher: JAPAN INST METALS
Citation: MATERIALS TRANSACTIONS, 48(8), 2119-2122
Abstract: The electronic structure and related magnetic properties of Fe-doped ZnO system is analyzed in presence of both O- and Zn-vacancy ill the framework of TB-LMTO-ASA method within LSDA. Although for the Fe-doped ZnO system, the ground state is antiferromagnetic, in presence of O-and Zn-vacancy the magnetic mechanism is drastically altered. Utilizing the two-centered tight binding model of Anderson and Hasegawa, we have investigated the nature of the two competing interactions : antiferromagnetic super-exchange versus ferromagnetic double-exchange interactions, as a function of the Fe-Fe separation by supercell calculations. The results reveal that for obtaining long-range half-metallic ferromagnetism, Zn-vacancy is more crucial than O-vacancy.
URI: http://dx.doi.org/10.2320/matertrans.N-MRA2007867
http://dspace.library.iitb.ac.in/xmlui/handle/10054/9289
http://hdl.handle.net/10054/9289
ISSN: 1345-9678
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