Strongly correlated electronic states and quasi-two-dimensionalantiferromagnetism in honeycomb lattice compound In$_{3}$Cu$_{2}$VO$_{9}$

Details Strongly correlated electronic states and quasi-two-dimensionalantiferromagnetism in honeycomb lattice compound In$_{3}$Cu$_{2}$VO$_{9}$ Strongly correlated electronic states and quasi-two-dimensionalantiferromagnetism in honeycomb lattice compound In$_{3}$Cu$_{2}$VO$_{9}$

2012-02-09

arxiv.org/abs/1202.1861v2

Physics

Condensed Matter

Superconductivity

revised version, three references and a short paragraph are added

Scientific paper

We present electronic and magnetic properties of a honeycomb compound In$_{3}$Cu$_{2}$VO$_{9}$ in this paper. We find that undoped parent phase is a charge transfer insulator with an energy gap of 1.6 eV. Singly occupied 3z$^{2}$-r$^{2}$ electrons of coppers, similar to the $p_{z}$ electrons of carbons in graphene, lie from -5 to -7 eV and contributes an antiferromagnetic moment with S=1/2. Nonmagnetic vanadium, out of the expectation, has two electrons in V 3d orbitals. Oxygen 2p orbitals hybridizing with a small fraction of Cu 3d orbitals dominate the density of states near E$_{F}$. We also estimate that the planar nearest-neighbor and next-nearest-neighbor superexchange couplings of Cu spins are J$_{1}$$\approx$17.5 meV and J$_{2}$$\approx$0.76 meV, giving rise to a low-dimensional antiferromagnet \cite{Sondhi10}. We suggest that hole doping on O sites may bring about carriers and considerably enhance the screening, driving the system from an antiferromagnetic state to a spin liquid, or a superconducting ones, very similar to cuprates.

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