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Title: First-principles calculation of the electronic structure of yttrium iron garnet (Y{sub 3}Fe{sub 5}O{sub 12})

Journal Article · · Journal of Applied Physics
DOI:https://doi.org/10.1063/1.373185· OSTI ID:20216215
 [1];  [1];  [1]
  1. Department of Physics, University of Missouri-Kansas City, Kansas City, Missouri 64110 (United States)

The electronic structure of Y{sub 3}Fe{sub 5}O{sub 12} (YIG) crystal was calculated using the spin-polarized orthogonalized linear combination of atomic orbitals method in the local spin-density approximation. It is shown that YIG has a ferrimagnetic ordering with Fe spin magnetic moments of -0.62{mu}{sub B} and +1.56{mu}{sub B} at the octahedral 16(a) site and the tetrahedral 24(d) site, respectively. The origin of ferrimagnetism in the two Fe sublattices can be traced to the different ordering of the e{sub g} and t{sub 2g} levels for the spin-up and spin-down electrons. (c) 2000 American Institute of Physics.

OSTI ID:
20216215
Journal Information:
Journal of Applied Physics, Vol. 87, Issue 9; Other Information: PBD: 1 May 2000; ISSN 0021-8979
Country of Publication:
United States
Language:
English