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arxiv: cond-mat/0412663 · v1 · submitted 2004-12-23 · ❄️ cond-mat.str-el

Why the magnetic interactions in Na_(x)CoO₂ are 3D

classification ❄️ cond-mat.str-el
keywords exchangecalculationsinteractionsmagneticnearestaddressedagreeanalysis
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The puzzle of 3D magnetic interactions in the structurally 2D layered oxide Na$_{x}$CoO$_2$ is addressed using first principles calculations and analysis of the exchange mechanisms. The calculations agree with recent neutron results, favoring AFM stacking of FM planes. Superexchange via direct O-O hopping and through intermediate Na $sp^2$ hybrids couples each Co to its nearest and six \textit{next}-nearest interplanar neighbors equally. The individual exchange constants are rather 2D, like the lattice itself, but due to multiple c-axis exchange paths, the magnetism becomes effectively 3D.

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