Premium
Accurate structure refinement and measurement of crystal charge distribution using convergent beam electron diffraction
Author(s) -
Zuo J.M.
Publication year - 1999
Publication title -
microscopy research and technique
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.536
H-Index - 118
eISSN - 1097-0029
pISSN - 1059-910X
DOI - 10.1002/(sici)1097-0029(19990801)46:3<220::aid-jemt5>3.0.co;2-1
Subject(s) - charge density , diffraction , electron diffraction , materials science , electron density , crystal (programming language) , crystal structure , computational physics , redistribution (election) , electron , charge (physics) , cathode ray , statistical physics , physics , optics , chemistry , crystallography , computer science , nuclear physics , quantum mechanics , programming language , politics , law , political science
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. Microsc. Res. Tech. 46:220–233, 1999. © 1999 Wiley‐Liss, Inc.