Magnetic ground state of coupled edge-sharing CuO_2 spin-chains

Details Magnetic ground state of coupled edge-sharing CuO_2 spin-chains Magnetic ground state of coupled edge-sharing CuO_2 spin-chains

2007-10-26

arxiv.org/abs/0710.5029v1

Physical Review Letters 99, 237206 (2007)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 2 figures, 3 tables, accepted by Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.99.237206

By means of density functional theory, we investigate the magnetic ground state of edge-sharing CuO_2 spin-chains, as found in the (La,Ca,Sr)_14Cu_24O_41system, for instance. Our data rely on spin-polarized electronic structure calculations including onsite interaction (LDA+U) and an effective model for the interchain coupling. Strong doping dependence of the magnetic order is characteristic for edge-sharing CuO_2 spin-chains. We determine the ground state magnetic structure as function of the spin-chain filling and quantify the competing exchange interactions.

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