Statistical analysis of electron channelling microanalytical data for the determination of site occupancies of impurities

C. J. Rossouw; P. S. Turner; T. J. White; A. J. O’Connor

doi:10.1080/09500838908206462

Statistical analysis of electron channelling microanalytical data for the determination of site occupancies of impurities

C. J. Rossouw, P. S. Turner, T. J. White, A. J. O’Connor

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58 Citations (Scopus)

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 Cr2Mn04 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.

Original language	English
Pages (from-to)	225-232
Number of pages	8
Journal	Philosophical Magazine Letters
Volume	60
Issue number	5
DOIs	https://doi.org/10.1080/09500838908206462
Publication status	Published - Nov 1989
Externally published	Yes

ASJC Scopus Subject Areas

Condensed Matter Physics

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10.1080/09500838908206462

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title = "Statistical analysis of electron channelling microanalytical data for the determination of site occupancies of impurities",

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 Cr2Mn04 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.",

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AU - Rossouw, C. J.

AU - Turner, P. S.

AU - White, T. J.

AU - O’Connor, A. J.

PY - 1989/11

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N2 - 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 Cr2Mn04 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.

AB - 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 Cr2Mn04 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.

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Statistical analysis of electron channelling microanalytical data for the determination of site occupancies of impurities

Abstract

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