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首页> 外文期刊>International Journal of Quantum Chemistry >Pr0.5Ca0.5Mn0.97Ga0.03O3, a strongly strained system due to the coexistence of two orbital ordered phases at low temperature
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Pr0.5Ca0.5Mn0.97Ga0.03O3, a strongly strained system due to the coexistence of two orbital ordered phases at low temperature

机译:Pr0.5Ca0.5Mn0.97Ga0.03O3,由于两个轨道有序相在低温下共存而产生的强应变系统

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摘要

Combining low-temperature electron (ED) and synchrotron powder diffraction (SPD) techniques, we have precisely determined the phase-separated crystal structure of Pr0.5Ca0.5Mn0.97Ga0.03O3. We demonstrate that the phase separation is associated with the onset of charge/orbital ordering at ∼ 230K and that two ordered phases coexist at low temperature. In order to account for the significant anisotropic linewidth broadening observed in the SPD patterns, we had to include a specific strain model in the refinements. One of the phases, the most severely strained, is suggested to result from an imperfect charge ordering. © 2005 Elsevier Inc. All rights reserved.
机译:结合低温电子(ED)和同步加速器粉末衍射(SPD)技术,我们已经精确地确定了Pr0.5Ca0.5Mn0.97Ga0.03O3的相分离晶体结构。我们证明了相分离与∼中的电荷/轨道排序的开始有关。 230K,并且两个有序相在低温下共存。为了解决在SPD模式中观察到的明显的各向异性线宽展宽问题,我们必须在优化中包括特定的应变模型。建议其中一个阶段(最严重的应变)是由于电荷排序不完善而导致的。 &复制; 2005 Elsevier Inc.保留所有权利。

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