利用单晶反常 X 射线散射对钙铌镓石榴石（CNGG）进行精细结构分析

IF 1.7 4区材料科学 Q3 CRYSTALLOGRAPHY

Journal of Crystal Growth Pub Date : 2024-10-15 DOI:10.1016/j.jcrysgro.2024.127947

Ryo Yamane , Hiroaki Takeda , Takahiro Kuribayashi , Kazumasa Sugiyama , Tsuguo Fukuda

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引用次数: 0

摘要

为了研究钙铌镓石榴石（CNGG）的阳离子分布，我们进行了单晶反常 X 射线散射（AXS）实验。AXS 测量结果表明，铌有序地分布在八面体位置，进一步的结构细化使我们得到了 Ca3Nb1.703(0) Ga3.162(2)O12 的结构式。钙只位于十二面体位点，而镓则分布在八面体和四面体位点。四面体位点有大量空位，空位比为每单位晶胞一个，而八面体位点的铌/镓占据比导致了 CNGG 的非化学计量组成及其独特的宽吸收波长。

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Fine structural analysis of calcium–niobium–gallium garnet (CNGG) by single-crystal anomalous X-ray scattering

Single-crystal anomalous X-ray scattering (AXS) experiments were conducted to investigate the cation distribution of calcium–niobium–gallium garnet (CNGG). AXS measurements suggested an ordered distribution of Nb at the octahedral site, and further structural refinement allowed us to obtain the structural formula Ca₃Nb_1.703(0) Ga_3.162(2)O₁₂. Ca was only located in the dodecahedral site, while Ga was distributed in the octa- and tetrahedral sites. The tetrahedral site had a significant number of vacancies at a ratio of one vacancy per unit cell, and the Nb/Ga occupation ratio at the octahedral site results in non-stoichiometric chemical composition of CNGG and its unique broad absorption wavelength.

The findings of this study can contribute to device fabrication, property optimization, and quality control processes related to CNGG.

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来源期刊

Journal of Crystal Growth 化学-晶体学

CiteScore

3.60

自引率

11.10%

发文量

373

审稿时长

65 days

期刊介绍： The journal offers a common reference and publication source for workers engaged in research on the experimental and theoretical aspects of crystal growth and its applications, e.g. in devices. Experimental and theoretical contributions are published in the following fields: theory of nucleation and growth, molecular kinetics and transport phenomena, crystallization in viscous media such as polymers and glasses; crystal growth of metals, minerals, semiconductors, superconductors, magnetics, inorganic, organic and biological substances in bulk or as thin films; molecular beam epitaxy, chemical vapor deposition, growth of III-V and II-VI and other semiconductors; characterization of single crystals by physical and chemical methods; apparatus, instrumentation and techniques for crystal growth, and purification methods; multilayer heterostructures and their characterisation with an emphasis on crystal growth and epitaxial aspects of electronic materials. A special feature of the journal is the periodic inclusion of proceedings of symposia and conferences on relevant aspects of crystal growth.