透射电镜表征晶体结构的程序设计原理  

Programming principle for characterization of crystal structures by transmission electron microscope

作　　者：任令祺 陈亮维[1] 梁琦 李毅 虞澜[1] REN Ling-qi;CHEN Liang-wei;LIANG Qi;LI Yi;YU Lan(Faculty of Material Science and Engineering,Kunming University of Science and Technology,Kunming 650093,Yunnan,China)

机构地区：[1]昆明理工大学材料科学与工程学院,云南昆明650093

出　　处：《云南大学学报（自然科学版）》2024年第1期114-119,共6页Journal of Yunnan University(Natural Sciences Edition)

基　　金：国家自然科学基金(51962017)。

摘　　要：表征晶体结构是透射电镜(TEM)的常规分析工作.文章介绍了在透射电子衍射方法下任意单晶体结构与衍射花样之间的关系.为了简化仪器操作和透射电子衍射数据分析,根据前述晶体结构与衍射花样的关系运用Python计算机语言设计智能化采集单晶透射电子衍射数据的操作系统和衍射数据分析程序.介绍了分析程序的主要功能,软件根据输入实际的TEM衍射花样计算出晶体结构、晶胞参数及衍射晶面指数.另外,软件还可以计算出任意晶体在某一取向下的衍射花样特征,例如计算了立方、四方、正交、六方和菱方晶系单晶在基本晶带轴下衍射花样特征.结果为材料研究者表征单晶结构提供了参考或有用的工具.Characterization of crystal structures is one of the routine tasks of transmission electron microscope(TEM).This paper introduces the relationship between any single crystal structure and a diffraction pattern of transmission electron diffraction.In order to further simplify the device operating and the analysis of transmission electron diffraction,the device operating system for intelligent acquisition of single crystal transmission diffraction data and diffraction data analysis program are proposed and designed with Python computer language according to the above relationship between a single crystal structure and a diffraction pattern of transmission electron diffraction.The main functions of the analysis software program are introduced.The software can give out the crystal structure,crystal cell parameters and diffraction crystal plane index according to the input real TEM diffraction spots pattern.On the other hand,the diffraction pattern characteristics of a crystal with a certain orientation will be calculated and analyzed with the software program.For example,the single crystal diffraction patterns of cubic,tetragonal,orthorhombic,hexagonal,and rhombohedral crystal systems with the basic crystal zone axis are calculated and summarized.It provides a reference or a useful tool for material researchers to characterize single crystal structures.

关 键 词：单晶体 透射电子衍射 衍射花样 晶体结构分析 透射电镜 

分 类 号：O73[理学—晶体学]