1. Superexchange interaction in the A-site ordered perovskite YMn3Al4O12.
- Author
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Masayuki Toyoda, Takashi Saito, Kunihiko Yamauchi, Yuichi Shimakawa, and Tamio Oguchi
- Subjects
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YTTRIUM compounds , *PEROVSKITE , *CRYSTAL structure , *NEUTRON diffraction , *NEUTRON measurement , *MANGANESE compounds , *METAL ions - Abstract
Crystal structure and magnetic ordering in YMn3Al4O12 are determined by neutron powder diffraction measurement, indicating that S=2 spins of the A'-site Mn3+ ions are ordered in G-type antiferromagnetic (AFM) arrangement in the Im3 cubic crystal structure. Using the first-principles electronic structure calculations, it is found that the AFM spin structure is stabilized by the nearest-neighbour (NN) exchange interaction. The underlying mechanism of the NN exchange is revealed to be the antiferromagnetic Mn-O-Mn superexchange interaction from the calculations of electronic transfer integrals. [ABSTRACT FROM AUTHOR]
- Published
- 2015
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