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

Abstract

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.

Accepted PRL

References in corpus (5)

• Electronic structure and magnetic properties of the linear chain cuprates Sr_2CuO_3 and Ca_2CuO_3
• Extended Moment Formation and Second Neighbor Coupling in Li${}_2$CuO${}_2$
• Calculation of Neel temperature for S=1/2 quasi-one-dimensional Heisenberg antiferromagnets
• Sr${}_2$Cu(PO${}_4$)${}_2$: A real material realization of the 1D nearest neighbor Heisenberg chain
• Anisotropic superexchange of a 90 degree Cu-O-Cu bond

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• Lattice dynamics of ASb2O6 (A=Cu,Co) with trirutile structure
• Transition from one-dimensional antiferromagnetism to three-dimensional antiferromagnetic order in single-crystalline CuSb${}_2$O${}_6$
• Electronic structure of KTi(SO4)2.H2O - a S=1/2 frustrated chain antiferromagnet
• The Fermi surface of PtCoO2 from quantum oscillations and electronic structure calculations
• Torque magnetometry study of magnetically ordered state and spin reorientation in the quasi-one-dimensional $S=1/2$ Heisenberg antiferromagnet CuSb${}_2$O${}_6$
• Coupling of phonons with orbital dynamics and magnetism in CuSb${}_2$O${}_6$
• Ground state and low-temperature magnetism of the quasi-two-dimensional honeycomb compound InCu${}_{2/3}$V${}_{1/3}$O${}_3$