科研之友
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摘要
We present a single-crystalline x-ray diffraction study on Ba4Ru3O10 consisting of corner-shared Ru3O12 trimers. The crystal structure is redetermined from 78 to 300K across an antiferromagnetic transition at 105 K. The orthorhombic symmetry (Cmca, space group No. 64) is preserved at all temperatures measured. This structure presents exceptionally long Ru-O distances characterized by a significant distribution within the Ru3O12 trimer. A bond valence sum calculation suggests that the charge disproportionation within the Ru3O12 trimer emerges even at room temperature, which we ascribe to molecular orbital formation in the Ru3O12 trimer, as supported by the results of recent theoretical calculations. On the basis of the analyzed crystal structure, the electronic states and the nature of the phase transition at 105K are discussed.
- 出版日期2013-10
