Magnetic properties and the electronic structure of LiCoO2
R. J. Radwanski, Z. Ropka
Abstract
We have described properties of LiCoO2 within the Quantum Atomistic Solid State (QUASST) theory taking into account very strong electron correlations, predominantly of the intra-atomic origin, spin-orbit coupling and the detailed local crystallographic surroundings and its symmetry. Properties of LiCoO2 are consistently explained together with NaCoO2 and LaCoO3 - in all of these compounds the Co3+ ions occur in the low-spin state. This low-spin state is the effect of the relatively strong crystal-field interactions (B4z = +320 K <=> 10Dq = 3.3 eV) and is a manifestation of the very large orbital moment of the Co3+ ion.
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