Resonant X-ray Diffraction under optimized destructive interference for highly sensitive determination of phase-resolved site-selective atomic displacements in crystalline materials

优化相消干涉下的共振 X 射线衍射，用于高灵敏度测定晶体材料中相分辨位点选择性原子位移

• 批准号: 324641898
• 负责人: Professor Dr. Dirk Carl Meyer
• 金额: --
• 依托单位: Hochschule für Technik und Wirtschaft Dresden (HTW)
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2016
• 资助国家: 德国
• 起止时间: 2015-12-31 至 2019-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/324641898?language=en
• 关键词: Resonant; ray; Diffraction; under; optimized

The project aims at the methodical enhancement of Resonant X-ray Diffraction towards highly sensitive, phase-resolved determination of atomic displacements within the ideal structure of a crystal. These deviations of atomic positions will be characterized both in low-dimensional systems and under external influences like temperature, mechanical stress as well as electric and magnetic fields. Tuning to maximal destructive interference by means of varying the incident X-ray photon energy attains the essential increase of sensitivity. The method will be verified for selected ternary and quaternary oxides, which are in prime focus of current research. Theoretical first-principle modelling will support the interpretation of the experimentally determined deviations and ensure physio-chemical conclusiveness. An experimental characterization method with extreme accuracy in terms of phase-resolved atomic displacements in crystalline structures is expected from this project.

该项目旨在有条理地增强共振X射线衍射，以实现晶体理想结构内原子位移的高灵敏度、相位分辨测定。原子位置的这些偏差将在低维系统中以及在温度、机械应力以及电场和磁场等外部影响下被表征。通过改变入射X射线光子能量调谐到最大相消干涉，实现了灵敏度的本质提高。该方法将被验证为选定的三元和四元氧化物，这是目前研究的主要焦点。理论第一性原理建模将支持实验确定的偏差的解释，并确保物理化学的结论性。一个实验表征方法，在晶体结构中的相位分辨原子位移方面具有极高的精度，预计从这个项目。

项目成果

Structure variations within RSi2 and R 2 TSi3 silicides. Part I. Structure overview

• DOI: 10.1107/s2052520620001043
• 发表时间: 2020-03
• 期刊: Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
• 作者: M. Nentwich;M. Zschornak;Maximilian Sonntag;R. Gumeniuk;S. Gemming;T. Leisegang;D. Meyer

X-ray diffraction using focused-ion-beam-prepared single crystals

使用聚焦离子束制备的单晶进行 X 射线衍射

• DOI: 10.1107/s1600576720003143
• 发表时间: 2020
• 期刊: Journal of Applied Crystallography
• 影响因子: 6.1
• 作者: T. Weigel;C. Funke;M. Zschornak;T. Behm;H. Stöcker;T. Leisegang;D. C. Meyer
• 通讯作者: D. C. Meyer

Structure variations within RSi2 and R 2Si3 silicides. Part II. Structure driving factors

• DOI: 10.1107/s2052520620003893
• 发表时间: 2020-05
• 期刊: Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
• 作者: M. Nentwich;M. Zschornak;Maximilian Sonntag;R. Gumeniuk;S. Gemming;S. Gemming;T. Leisegang;D. Meyer-D.-M

Analysis of the defect clusters in congruent lithium tantalate

• DOI: 10.1103/physrevmaterials.2.013804
• 发表时间: 2018-01
• 期刊: Physical Review Materials
• 影响因子: 3.4
• 作者: A. Vyalikh;M. Zschornak;T. Köhler;M. Nentwich;T. Weigel;J. Hanzig;R. Zaripov;E. Vavilova;S. Gem