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Gadolinium and Oxygen co-doping of Gallium Nitride: an LSDA + U study

Published online by Cambridge University Press:  01 February 2011

Walter R. L. Lambrecht
Affiliation:, Case Western Reserve University, Physics, 10900 Euclid Avenue LC 7079, Cleveland, OH, 44106-7079, United States, (216) 368-6120, (216) 368-4671
Paul Larson
Affiliation:, Case Western Reserve University, Department of Physics, 10900 Euclid Avenue, LC 7079, Cleveland, OH, 44106-7079, United States
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Results of first-principles supercell calculations for Gd impurities, with and without O-impurities in the same cell are presented. The possibility of colossal magnetic moments, as reported by Dhar et al., [Phys. Rev. Lett. 94, 037205 (2005)] is discussed in view of the results. Particular attention is paid to the size of the conduction band spin splitting, induced by Gd. It is argued that O plays a more active role than merely providing the electrons leading to the magnetic moment. Estimates are made of the splitting of the conduction band required to explain the occurrence of colossal magnetic moments.

Research Article
Copyright © Materials Research Society 2007

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