Spontaneous formation of vanadium "molecules" in a geometrically frustrated crystal:: AlV2O4
Spontaneous formation of vanadium "molecules" in a geometrically frustrated crystal:: AlV2O4
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DOI：
10.1103/physrevlett.96.086406
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发表时间：
2006-03-03
影响因子：
8.6
通讯作者：
Katsufuji, T
中科院分区：
文献类型：
--
作者：
Horibe, Y;Shingu, M;Katsufuji, T
利用电子衍射、同步x射线衍射和磁测量等方法研究了尖晶石AlV2O4中的电荷有序态（CO）。结果发现，在700 K以下出现的CO结构的特征是形成V簇（七聚体），每个七聚体由7个钒原子组成，并且总体上处于自旋单重态。从理论上考虑，这种独特的类分子V七聚体是由钒t（2g）轨道的强键稳定的。
We investigated the charge-ordered (CO) state in spinel AlV2O4 by electron diffraction, synchrotron x-ray diffraction, and magnetic measurements. It was found that the CO structure appearing below 700 K is characterized by the formation of V clusters (heptamers), each of which is consisting of 7 vanadium atoms and is in a spin-singlet state as a total. Theoretical consideration indicates that this unique molecularlike V heptamer is stabilized by a strong bonding of vanadium t(2g) orbitals.