科研之友
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摘要
On the basis of first-principles density functional theory electronic structure calculations as well as classical spin analysis, we explored why the magnetic oxide Li(2)CuO(2), consisting of CuO(2) ribbon chains made up of edge-sharing CuO(4) 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 Li(2)CuO(2) is a consequence of order by disorder induced by next-nearest-neighbor interchain interactions.
- 出版日期2007-12
