Local Atomic Structure of Complex Oxides

0102565具有显著性质的复合电子氧化物，如巨磁阻型锰氧化物和高温超导铜酸盐，具有不同于平均晶体结构的原子和纳米尺度的局域结构，这些局域结构比平均结构更直接地影响其电子性质。该项目的目标是利用脉冲中子散射、同步加速器X射线散射和建模来确定复杂电子氧化物的局部结构。我们使用原子对密度函数(PDF)的方法对包括漫反射在内的总散射数据进行分析，直接确定原子之间的距离。该项目所获得的知识将为快速发展的高灵敏氧化物技术提供科学基础，并将提出改进其性能的方法。该项目还与升级洛斯阿拉莫斯中子科学中心脉冲中子粉末衍射光束线NPD的工作有关，该中心得到了美国国家科学基金会和能源部的支持。

0102565Egami Complex electronic oxides that show remarkable properties, such as the colossal magnetoresistive (CMR) manganites and the high-temperature superconductive cuprates, have atomic and nano-scale local structures that are distinct from the average crystal structure, and these local structures more directly influence their electronic properties than the average structure does. The goal of this project is to determine the local structure of complex electronic oxides using pulsed neutron scattering, synchrotron x-ray scattering and modeling. We directly determine the distances between atoms using the method of the atomic pair-density function (PDF) analysis of the total scattering data including diffuse scattering. %%%The knowledge obtained by this project would form a scientific basis for the rapidly developing technology of highly sensitive oxides, and would suggest ways of improving their performance. This project is also related to the effort to upgrade a pulsed neutron powder diffraction beamline, NPD, at the Los Alamos Neutron Science Center, supported by the NSF and DOE.