Structure Determination of Disordered Materials from Diffraction Data
نویسندگان
چکیده
منابع مشابه
Structure determination of disordered materials from diffraction data.
We show that the information gained in spectroscopic experiments regarding the number and distribution of atomic environments can be used as a valuable constraint in the refinement of the atomic-scale structures of nanostructured or amorphous materials from pair distribution function (PDF) data. We illustrate the effectiveness of this approach for three paradigmatic disordered systems: molecula...
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New techniques have been integrated into EXPO (Altomare et al., 1999), a package devoted to extracting the integrated intensities from an indexed powder diffraction pattern and to solving crystal structures via Direct Methods. An efficient peak-search algorithm and an improved version of the program TREOR90 (Werner et al., 1985) have been introduced in order to offer new tools for a more powerf...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2010
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.104.125501