Strong negative thermal expansion along the O-Cu-O linkage in CuScO2
Strong negative thermal expansion along the O-Cu-O linkage in CuScO2
复制标题
DOI：
10.1021/cm011633v
复制
发表时间：
2002-06-01
影响因子：
8.6
通讯作者：
Sleight, AW
中科院分区：
文献类型：
--
作者：
Li, J;Yokochi, A;Sleight, AW
根据室温下的单晶X射线衍射数据和11 ~ 1206 K的中子粉末衍射数据，对2 HCuScO_2的结构进行了修正。对于低于300 Y的表观Cu-O键长，已经发现了强负热膨胀（-4.0 X 10（-6）/K）。这是基于O-M-O键而不是M-O-M键的金属氧化物中强负热膨胀的第一个例子。现在是Cu的横向热运动，而不是氧的横向热运动，导致负热膨胀。正如预期的负热膨胀的这种机制，热位移参数为铜是非常明显的垂直于线性O-Cu-O键。
The structure of 2H CuScO2 has been refined from single-crystal X-ray diffraction data obtained at room temperature and from neutron powder diffraction data obtained from 11 to 1206 K. Strong negative thermal expansion (-4.0 x 10(-6)/K) has been found for the apparent Cu-O bond length below 300 Y, This is the first example of strong negative thermal expansion in a metal oxide based on an O-M-O linkage instead of a M-O-M linkage. It is now the transverse thermal motion of Cu, instead of the transverse thermal motion of oxygen, that causes the negative thermal expansion. As expected for this mechanism for negative thermal expansion, the thermal displacement parameter for Cu is very pronounced perpendicular to the linear O-Cu-O linkage.