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http://dx.doi.org/10.4283/JMAG.2007.12.2.064

Electronic and Magnetic Structures of Ba2MReO6 (M=Mn, Fe, Co, and Ni)  

Park, J.H. (Department of Physics, Pohang University of Science and Technology)
Kwon, S.K. (Department of Physics, Pohang University of Science and Technology)
Min, B.I. (Department of Physics, Pohang University of Science and Technology)
Publication Information
Journal of Magnetics / v.12, no.2, 2007 , pp. 64-67 More about this Journal
Abstract
Electronic structures of ordered double perovskites $Ba_2MReO_6$ (M=Mn, Fe, Co, and Ni) are investigated by using the linearized muffin-tin orbitals band method in the local spin-density approximation (LSDA) and the LSDA+U method. The half-metallic ferrimagnetic ground states are obtained for M=Fe and Ni in the LSDA+U, whereas the insulating ground state is obtained for M=Mn in the LSDA+U incorporating the spinorbit interaction. For M= Co, the antiferromagnetic ground state is stabilized in the LSDA+U by invoking the structural distortion.
Keywords
electronic structure; double-perovskites; half-metal; spin-orbit interaction;
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