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Utilizing total scattering to study the Jahn-Teller transition in La1-xCaxMnO3 利用总散射研究La1-xCaxMnO3中的Jahn-Teller跃迁
Q2 Chemistry Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.429
E. Bozin, X. Qiu, Richard J. Worhatch, G. Paglia, M. Schmidt, P. Radaelli, J. Mitchell, T. Chatterji, T. Proffen, S. Billinge
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.
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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引用次数: 5
Stress and local texture measurements at the materials science diffractometer STRESS-SPEC at FRM-II 在FRM-II的材料科学衍射仪上测量应力和局部织构
Q2 Chemistry Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.171
U. Garbe, M. Hofmann, H. Brokmeier
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引用次数: 4
From powder diffraction to structure resolution of nanocrystals by precession electron diffraction 从粉末衍射到进动电子衍射纳米晶体的结构分辨
Q2 Chemistry Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.183
S. Nicolopoulos, J. Morniroli, M. Gemmi
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引用次数: 8
Nanostructure studied using the atomic pair distribution function 利用原子对分布函数研究纳米结构
Q2 Chemistry Pub Date : 2007-11-01 DOI: 10.1524/ZKRI.2007.2007.SUPPL_26.17
S. Billinge
Studying the atomic structure of nanostructured materials presents a special chal- lenge because our extensive crystallographic toolbox begins to lose its power on the nano- scale. The presumption of periodicity is a poor approximation when structural correlation lengths are limited to a few tens of nanometres or less and alternative approaches are needed. Here we give an overview of recent results where the use of the atomic pair distribution function analysis of x-ray and neutron powder diffraction has yielded useful insights in dif- ferent classes of nanostructure problem.
研究纳米结构材料的原子结构是一个特殊的挑战,因为我们广泛的晶体学工具箱开始在纳米尺度上失去它的力量。当结构相关长度限制在几十纳米或更小,需要替代方法时,周期性的假设是一个很差的近似值。在这里,我们概述了最近的结果,其中使用x射线和中子粉末衍射的原子对分布函数分析在不同类别的纳米结构问题中产生了有用的见解。
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引用次数: 12
Structure properties of chemisorbed methyl groups in the framework of faujasite zeolitic catalysts faujasite沸石催化剂框架中化学吸附甲基的结构性质
Q2 Chemistry Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.399
S. Vratislav, M. Dlouhá, V. Bosáček
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引用次数: 4
In-situ investigation by X-ray diffraction and wafer curvature of phase formation and stress evolution during metal thin film – silicon reactions 利用x射线衍射和晶圆曲率对金属薄膜-硅反应相形成和应力演化进行了原位研究
Q2 Chemistry Pub Date : 2007-11-01 DOI: 10.1524/ZKRI.2007.2007.SUPPL_26.81
O. Thomas
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引用次数: 0
Validation of magnetic structures 磁性结构的验证
Q2 Chemistry Pub Date : 2007-11-01 DOI: 10.1524/ZKRI.2007.2007.SUPPL_26.53
A. Wills
Magnetic structures are the ordered arrays of magnetic mornents that provide the basis for our understanding of the broad range of magnetic phenomena. Neutron diffraction provides what are arguably the most inforniative data on their nature. Given synthetic difficulties in growing single crystals, powder neutron diffraction is the technique of choice for the determination of the most significant qualities of magnetic structures. The literature reveals a lot of confusion over what magnetic structures are, both in the way that magnetic diffraction data are analysed and in mistakes that are commonly made when they are represented. In this article a brief overview is given about what magnetic structures are and what steps are required in order that they be validated as 'physically reasonable'. The discussion is limited to powder diffraction.
磁结构是磁矩的有序排列,为我们理解广泛的磁现象提供了基础。中子衍射提供了关于它们性质的最具信息量的数据。考虑到生长单晶的合成困难,粉末中子衍射是确定磁性结构最重要品质的技术选择。文献揭示了很多关于什么是磁性结构的困惑,无论是在分析磁衍射数据的方式上,还是在表示它们时经常犯的错误上。在本文中,简要概述了什么是磁性结构,以及需要哪些步骤才能验证它们是“物理合理的”。讨论仅限于粉末衍射。
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引用次数: 7
Microstructure evolution of nano-crystalline HITPERM and NANOPERM alloys: Insight fromin-situsynchrotron radiation experiments 纳米晶HITPERM和NANOPERM合金的微观结构演变:来自原位同步辐射实验的洞察
Q2 Chemistry Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.345
R. Nicula, V. Cojocaru, J. Bednarčík, M. Stir, E. Burkel
The properties of nanocrystalline materials differ from the ones of their coarse- grained counterparts. Significant changes of the phase diagrams were also recently reported for various nanomaterials. Thermomechanical processing routes - with or without pressure application - employed to obtain bulk nanostructured solids from nanocrystalline powders control the microstructural features down to the nanoscale and thus determine the final nanomaterial properties. Modern in-situ X-ray diffraction experiments provide effective tools for the observation and engineering of the microstructure in nanomaterials. Time-resolved in-situ synchrotron radiation diffraction experiments were here used to monitor the evolution of the weighted column-length distributions and microstrain at specimen-relevant scales during heating of nanocrystalline HITPERM and NANOPERM alloys. Diffraction line pro- file analysis methods were applied to observe the grain growth kinetics in these Fe(Co)-Zr- B-Cu nanostructured alloys. The retention of their excellent soft magnetic properties in par- ticular at high temperature depends on the ability to supress anomalous grain growth.
纳米晶材料的性质不同于粗晶材料。最近也报道了不同纳米材料相图的显著变化。从纳米晶粉末中获得大块纳米结构固体的热机械加工路线——有或没有施加压力——将微观结构特征控制到纳米尺度,从而决定最终的纳米材料特性。现代原位x射线衍射实验为纳米材料微观结构的观察和工程研究提供了有效的工具。采用时间分辨原位同步辐射衍射实验监测了纳米晶HITPERM和NANOPERM合金在加热过程中加权柱长分布和微应变在试样相关尺度上的演变。采用衍射线谱分析方法观察了Fe(Co)- zr - B-Cu纳米合金的晶粒生长动力学。其优异的软磁性能,特别是在高温下的保留取决于抑制异常晶粒生长的能力。
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引用次数: 1
Use of generalised pole figures in the X-ray study of textured metal materials 在有织构金属材料的x射线研究中使用广义极点图
Q2 Chemistry Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.327
Y. Perlovich, M. Isaenkova, V. Fesenko
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引用次数: 3
Modulation of Cu-O chain length in SmBa2Cu3O6+δ, by Al doping and clustering Al掺杂和聚类对SmBa2Cu3O6+δ中Cu-O链长的调制
Q2 Chemistry Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.495
M. Scavini, M. Daldosso, M. Brunelli, C. Ferrero, C. Oliva
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引用次数: 0
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