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Structure-Factor Refinements in Non-Centrosymmetric Crystals Using Convergent Beam Intensities and Inaccurate Input Data

机译:使用会聚光束强度和不准确输入数据的非亚聚对称晶体中的结构因子细化

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Quantitative Convergent Beam Electron Diffraction (QCBED) gives information on both structure factor phases and amplitudes. By using the observed intensity variations in the direct beam of a CBED pattern, selected structure factors and three-phase structure invariants are refined. The test case studied is an energy-filtered CBED pattern of InP tilted close to the 170 zone axis and recorded at liquid nitrogen temperature and 119.5 kV. In the QCBED refinements, the detailed structure of the specimen is assumed unknown, so neither phases nor accurate structure factor amplitudes are known a priori. The present study shows that the magnitude of the three-phase invariants can be determined with an uncertainty of ±10 degrees. The structure factor amplitudes of low-order beams are found with 5% accuracy.
机译:定量收敛光束电子衍射(QCBed)提供有关结构因子相和幅度的信息。通过使用CBED图案的直接光束中观察到的强度变化,精制了所选的结构因子和三相结构不变。研究的测试用例是INP的能量过滤的CBED图案,其靠近170区轴线,并在液氮温度和119.5kV处录制。在QC涡流的改进中,假设样本的详细结构未知,因此两阶段和准确的结构因子幅度都是已知的。本研究表明,三相不变量的大小可以用±10度的不确定性确定。低阶波束的结构因子幅度以5%的精度找到。

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