Statistical analysis of electron channelling microanalytical data for the determination of site occupancies of impurities
Statistical analysis of electron channelling microanalytical data for the determination of site occupancies of impurities
复制标题
用于确定杂质位点占用的电子通道微量分析数据的统计分析
DOI：
10.1080/09500838908206462
复制
发表时间：
1989
影响因子：
1.2
通讯作者：
A. J. O'Connor
中科院分区：
文献类型：
--
作者：
C. Rossouw;P. Turner;T. White;A. J. O'Connor
本文描述了一种测定晶体中替代杂质浓度和跨晶位分布的新方法，该方法替代了通常的原子定位比法。用标准的多元统计方法分析了在强区轴衍射条件下杂质和基质原子发射的X射线积分计数。这使得能够确定杂质物种的总浓度和位置占有率，以及对这些量中的不确定度的定量估计。这种分析方法是通过测定铁在Cr2MnO4尖晶石中的位置来说明的。与标准的ALCHEMI分析相比，这种技术的优点包括降低了对离域影响和对实验误差的影响的敏感性。
Abstract A novel method for determining the concentration and distribution across sites of substitutional impurities in crystals is described, as an alternative to the usual ratio method of atom location by the channelling enhanced microanalysis (ALCHEMI) technique. The integrated X-ray counts for emission from impurity and host atom species under strong zone-axis diffraction conditions are analysed using standard multivariate statistical procedures. This enables both the total concentration and the fractional site occupancy of the impurity species to be determined, together with quantitative estimates of the uncertainties in these quantities. This method of analysis is illustrated through the determination of the site occupancy of Fe in a Cr2MnO4 spinel. Advantages of this technique include reduced sensitivity both to the effects of delocalization and to the effects of experimental errors compared with standard ALCHEMI analyses.