Interplay of frustration, magnetism, charge ordering, and covalency in a model of Na0.5CoO2

Details Interplay of frustration, magnetism, charge ordering, and covalency in a model of Na0.5CoO2 Interplay of frustration, magnetism, charge ordering, and covalency in a model of Na0.5CoO2

2008-08-29

arxiv.org/abs/0808.4025v2

Phys. Rev. B 79, 161103(R) (2009)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 4 figures. Text revised making more emphasis on model properties. Figures compacted

Scientific paper

We investigate an effective Hamiltonian for Na0.5CoO2 that includes the electrostatic potential due to the ordered Na ions and strong electronic correlations. This model displays a subtle interplay between metallic and insulating phases and between charge and magnetic order. For realistic parameters, the model predicts an insulating phase with similarities to a covalent insulator. We show that this interpretation gives a consistent explanation of experiments on Na0.5CoO2, including the small degree of charge ordering, the small charge gap, the large moment, and the optical conductivity.

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