Zuo J M
Department of Physics and Astronomy, Arizona State University, Tempe, Arizona 85287, USA.
Microsc Res Tech. 1999 Aug 1;46(3):220-33. doi: 10.1002/(SICI)1097-0029(19990801)46:3<220::AID-JEMT5>3.0.CO;2-1.
The method for accurate structure refinement from energy-filtered convergent-beam electron diffraction (CBED) patterns is described with emphasis on recent progress in using imaging filters and 2-D detectors. Details are given about the underlying theoretical model and the statistical analysis of experimental data. The relationship between crystal potential and charge density is also derived for crystals at thermal equilibrium. The method is applied to the refinement of Si (111) and (222) structure factors using various goodness-of-fit (GOF) criteria. Results show that the refinement method is robust and highly accurate. The importance of the experimentally measured structure factors is illustrated through the study of the charge density in MgO. With the measured structure factors, it is possible to obtain details about the charge redistribution due to crystal bonding.
描述了从能量过滤会聚束电子衍射（CBED）图案进行精确结构精修的方法，重点介绍了使用成像滤波器和二维探测器的最新进展。给出了基础理论模型和实验数据统计分析的详细信息。还推导了处于热平衡状态的晶体的晶体势与电荷密度之间的关系。该方法应用于使用各种拟合优度（GOF）标准对Si（111）和（222）结构因子进行精修。结果表明，该精修方法稳健且高度准确。通过对MgO中电荷密度的研究说明了实验测量的结构因子的重要性。利用测量的结构因子，可以获得由于晶体键合导致的电荷重新分布的详细信息。
