Utilizing total scattering to study the Jahn-Teller transition in La1-xCaxMnO3

Q2 Chemistry
E. Bozin, X. Qiu, Richard J. Worhatch, G. Paglia, M. Schmidt, P. Radaelli, J. Mitchell, T. Chatterji, T. Proffen, S. Billinge
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引用次数: 5

Abstract

Total scattering based atomic pair distribution function (PDF) analysis, with the advent of high data throughput neutron powder diffractometers, helps understanding the nature of the Jahn-Teller (JT) phase transition in La1-xCaxMnO3 colossal magnetoresistive (CMR) manganites. The JT distortion of the MnO6 octahedra, is long-range ordered in the orthorhombic (O) phase, but disappears in the pseudo-cubic (O') phase crystallographically. An anomalous unit cell volume contraction occurs at the transition. The PDF study indicates that the distortion persists locally deep in the O' phase, contrary to the crystallographic view. Simultaneously, local structural features observed in PDF at 10.3 A, sensitive to the oxygen sublattice changes, evolve dramatically across the transition. The same effect is observed irrespective of the way the O-O' phase boundary is crossed: it is seen both in the temperature series data for x=0, and in the doping series data at 310 K and at 550 K.
利用总散射研究La1-xCaxMnO3中的Jahn-Teller跃迁
基于全散射的原子对分布函数(PDF)分析,随着高数据通量中子粉末衍射仪的出现,有助于理解La1-xCaxMnO3巨磁阻(CMR)锰的Jahn-Teller (JT)相变的性质。MnO6八面体的JT畸变在正交(O)相中是长程有序的,而在伪立方(O’)相中消失。在过渡阶段出现异常的细胞体积收缩。PDF研究表明,与晶体学观点相反,变形在O相深处局部持续存在。同时,在10.3 A的PDF中观测到的局部结构特征,对氧亚晶格的变化敏感,在整个转变过程中发生了剧烈的变化。无论O-O'相边界的跨越方式如何,都观察到同样的效果:在x=0的温度系列数据中,以及在310 K和550 K的掺杂系列数据中都可以看到。
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来源期刊
CiteScore
1.47
自引率
0.00%
发文量
0
审稿时长
3 months
期刊介绍: Zeitschrift für Kristallographie International journal for structural, physical, and chemical aspects of crystalline materials ISSN 0044-2968 Founded in 1877 by Paul Groth Zeitschrift für Kristallographie is one of the world’s oldest scientific journals. In original papers, letters and review articles it presents results of theoretical or experimental study on crystallography.
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