Direct observation of incommensurate structure in Mo3Si.
Direct observation of incommensurate structure in Mo3Si.
复制标题
Mo3Si 中不通约结构的直接观察。
DOI：
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发表时间：
2016
期刊：
影响因子：
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通讯作者：
L. Marks
中科院分区：
文献类型：
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作者：
A. Gulec;Xiao;Matthew Taylor;J. Perepezko;L. Marks
采用 Z 衬度成像、电子衍射、原子探针断层扫描 (APT) 和密度泛函理论计算来研究 Mo3Si 相的晶体结构，该相先前报道为具有 A15 晶体结构。结果表明Mo3Si具有非立方晶胞的不相称晶体结构。 APT 和原子分辨率 Z 对比成像显示，样品成分中存在少量偏离化学计量的情况，表明位点取代导致了原子位置分裂、无序和空位的产生。
Z-contrast imaging, electron diffraction, atom-probe tomography (APT) and density functional theory calculations were used to study the crystal structure of the Mo3Si phase which was previously reported to have an A15 crystal structure. The results showed that Mo3Si has an incommensurate crystal structure with a non-cubic unit cell. The small off-stoichiometry in composition of the sample which was revealed by APT and atomic resolution Z-contrast imaging suggested that site substitution caused the development of split atomic positions, disorder and vacancies.