On the absence of a spiral magnetic order in Li2CuO2 with one-dimensional CuO2 ribbon chains

Abstract

On the basis of first principles density functional theory electronic structure calculations as well as classical spin analysis, we explored why the magnetic oxide Li2CuO2, consisting of CuO2 ribbon chains made up of edge-sharing CuO4 squares, does not exhibit a spiral-magnetic order. Our work shows that, due to the next-nearest-neighbor interchain interactions, the observed collinear magnetic structure becomes only slightly less stable than the spin-spiral ground state, and many states become nearly degenerate in energy with the observed collinear structure. This suggests that the collinear magnetic structure of Li2CuO2 is a consequence of order-by-disorder induced by next-nearest-neighbor interchain interactions.

References in corpus (8)

• Order by disorder and spiral spin liquid in frustrated diamond lattice antiferromagnets
• Numerical and approximate analytical results for the frustrated spin-1/2 quantum spin chain
• Ferroelectric Transition Induced by the Incommensurate Magnetic Ordering in LiCuVO4
• Extended Moment Formation and Second Neighbor Coupling in Li${}_2$CuO${}_2$
• The magnetic structure of Li2CuO2: from ab initio calculations to macroscopic simulations
• Charge and orbital excitations in Li2CuO2
• Interchain interactions and magnetic properties of Li2CuO2
• Oxygen Moment Formation and Canting in Li2CuO2

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