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• W2007698034 abstract "Electronic structure calculations were performed on the compound $mathrm{Ba}mathrm{Co}{mathrm{O}}_{3}$. $A$-type antiferromagnetism is predicted as a ground state, with a very small N'eel temperature, consistent with experiment. The insulating behavior of the compound needs symmetry breaking and occurs via an in-chain orbital ordering. The origin of this orbital ordering is explained. A large value of the orbital angular momentum is estimated, with the $z$ axis being the easy direction for the magnetization. A large, Ising-type, magnetocrystalline anisotropy is calculated for this quasi-one-dimensional compound, consistent with the collinear magnetic structure predicted." @default.
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• W2007698034 date "2007-10-19" @default.
• W2007698034 modified "2023-10-16" @default.
• W2007698034 title "Ising-type behavior in the antiferromagnetic phase of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi mathvariant=normal>Ba</mml:mi><mml:mi mathvariant=normal>Co</mml:mi><mml:msub><mml:mi mathvariant=normal>O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>from first principles" @default.
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• W2007698034 doi "https://doi.org/10.1103/physrevb.76.165120" @default.
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