Absence of a spiral magnetic order in Li_2CuO_2 containing one-dimensional CuO_2 ribbon chains

H. J. Xiang; C. Lee; M.-H. Whangbo

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Absence of a spiral magnetic order in Li_2CuO_2 containing one-dimensional CuO_2 ribbon chains

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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_2CuO_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_2CuO_2 is a consequence of order by disorder induced by next-nearest-neighbor interchain interactions.

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《Physical review, B. Condensed matter and materials physics》 |2007年第22期|220411.1-220411.4|共9页
作者
H. J. Xiang; C. Lee; M.-H. Whangbo;
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作者单位

Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8204, USA;

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正文语种英语
中图分类固体物理学;
关键词
spin chain models; exchange interactions; classical spin models; spin arrangements in magnetically ordered materials (including neutron and spin-polarized electron studies; synchrotron-source x-ray scattering; etc.);

Absence of a spiral magnetic order in Li_2CuO_2 containing one-dimensional CuO_2 ribbon chains

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