Quasi one-dimensional magnetism driven by unusual orbital ordering in CuSb2O6

Details Quasi one-dimensional magnetism driven by unusual orbital ordering in CuSb2O6 Quasi one-dimensional magnetism driven by unusual orbital ordering in CuSb2O6

2008-05-27

arxiv.org/abs/0805.4080v1

Physics

Condensed Matter

Strongly Correlated Electrons

Accepted PRL

Scientific paper

10.1103/PhysRevLett.100.237202

Essentially all undoped cuprates exhibit a quasi-planar, fourfold Cu-O coordination responsible for the magnetically active antibonding 3d-(x^2-y^2)-like state. Here, we present an electronic structure study for CuSb2O6 that reveals, in contrast, a half-filled 3d-(3z^2-r^2) orbital. This hitherto unobserved ground state originates from a competition of in- and out-of-plaquette orbitals where the strong Coulomb repulsion drives the surprising and unique orbital ordering. This, in turn, gives rise to an unexpected quasi one-dimensional magnetic behavior. Our results provide a consistent explanation of recent thermodynamical and neutron diffraction measurements.

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