Physics – Condensed Matter – Materials Science
Scientific paper
2008-12-19
Phys. Rev. B 80, 132408 (2009)
Physics
Condensed Matter
Materials Science
Scientific paper
10.1103/PhysRevB.80.132408
The spin ordering and spin-charge coupling in LuFe2O4 were investigated on the basis of density functional calculations and Monte Carlo simulations. The 2:1 ferrimagnetism arises from the strong antiferromagnetic intra-sheet Fe3+-Fe3+ and Fe3+ -Fe2+ as well as some substantial antiferromagnetic Fe2+-Fe3+ inter-sheet spin exchange interactions. The giant magnetocapacitance at room temperature and the enhanced electric polarization at 240 K of LuFe2O4 are explained by the strong spin-charge coupling.
Kan Er-Jun
Wei Su-Huai
Whangbo Myung-Hwan
Xiang H. J.
Yang Jinlong
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