Journal of Magnetics

The Korean Magnetics Society (한국자기학회)
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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)
  • Published : 2007.06.30
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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.

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References

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