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Metamictization in zircon. Part I: Raman investigation following a Rietveld approach: Profile line deconvolution technique.
Author(s) -
Presser V.
Publication year - 2009
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.2155
Subject(s) - deconvolution , raman spectroscopy , gaussian , analytical chemistry (journal) , silicon , zircon , mineralogy , bandwidth (computing) , line (geometry) , gaussian function , chemistry , optics , computational physics , materials science , physics , computer science , mathematics , optoelectronics , computational chemistry , geometry , telecommunications , chromatography , nuclear physics
The line profile form of Raman spectra can be analyzed using the very same approach and software used for diffractogram deconvolution via the Rietveld approach. In both cases the ‘true’ profile containing information about the sample must be separated from the instrument's profile function (and potentially from the emission profile) which can be achieved by deconvolution. In this first part of a two‐part study we demonstrate how the instrument's function can be described via a Gaussian function profile (yielding the very same result as several convoluted hat functions) using several examples (diamond, calcite, silicon and silicon carbide) for which true Raman bandwidth values are presented (assuming the true band profile to be Lorentzian). Also, asymmetrical bands can be described and analyzed via the presented deconvolution approach. The second part of this study will discuss and apply this method for studying the radiation‐induced damage in zircon grains (metamictization). Copyright © 2008 John Wiley & Sons, Ltd.