Journal
PHYSICAL REVIEW B
Volume 73, Issue 20, Pages -Publisher
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevB.73.205204
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We present a density functional study of Fe doped into the tetrahedral and octahedral cation sites of the wide-band-gap spinel ZnGa2O4. We calculate the electronic structure for different substitutions and discuss the magnetic and transport properties for each case considering different approximations for the exchange-correlation potential. We show that for certain doped cases, significant differences in the predicted behavior are obtained depending on the exchange-correlation potential adopted. Possible applications of the doped systems as magnetic semiconductors are outlined.
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