Charge order and negative thermal expansion in V2OPO4,Journal of the American Chemical Society

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Charge order and negative thermal expansion in V2OPO4
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2018-01-03 , DOI: 10.1021/jacs.7b09441
Elise Pachoud ₁ , James Cumby ₁ , Calum T Lithgow ₁ , J Paul Attfield ₁

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The semivalent oxyphosphate V2OPO4 is found to have long-range V2+/V3+ charge ordering up to 605 K where a monoclinic to tetragonal structural transition and a switch from positive to negative thermal expansion are observed. V-V bonding within orbital polymer chains is proposed as the key factor in the novel switch of thermal expansion behavior, as loss of V-V bonding enables transverse oxygen motions to dominate the thermal expansion at high temperatures. Ferrimagnetic order of V2+ spin up and V3+ spin down states is observed below a magnetic ordering transition at 164 K, and susceptibility measurements evidence local spin pairing correlations to higher temperatures.

中文翻译：

V2OPO4 中的电荷顺序和负热膨胀

半价氧磷酸盐 V2OPO4 被发现具有长程 V2+/V3+ 电荷排序高达 605 K，其中观察到单斜向四方结构的转变以及从正热膨胀到负热膨胀的转换。轨道聚合物链内的 VV 键被认为是热膨胀行为新转变的关键因素，因为 VV 键的丧失使横向氧运动能够在高温下主导热膨胀。V2+ 自旋向上和 V3+ 自旋向下状态的亚铁磁有序在 164 K 处的磁有序转变下方观察到，并且磁化率测量证明局部自旋配对与较高温度相关。

更新日期：2018-01-03

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