Download 5th FORUM ON NEW MATERIALS PART C Proceedings of the 5th by Edited by Pietro VINCENZINI World Academy of Ceramics and PDF
By Edited by Pietro VINCENZINI World Academy of Ceramics and National Research Council, Italy Co-edited by Kunihito KOUMOTO, Nagoya University, Japan Nicola ROMEO, University of Parma,
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Additional resources for 5th FORUM ON NEW MATERIALS PART C Proceedings of the 5th Forum on New Materials, part of CIMTEC 2010-12 th International Ceramics Congress and 5th Forum on New Materials Montecatini Terme, Italy, June 13-18, 2010
By using the ADPs (Uij) data, we estimated E for Ba/A on the 2a site, Ba/A in the (100) plane on the 6d site, Ba/A in the  direction on the 6d site to be 126, 88, 50 K, respectively, for Ba8Ga16Si30, 79, 74, 55 K for Ba8-xEuxGa16Si30 (x=2) from the refinements of XRD data sets using Cr Kradiation. Our estimated values of E for Ba8Ga16Si30 reasonably agree with the reported values for Ba8Ga16Si30 single crystal by Bentien et al.  and density functional theory (DFT) calculations .
It is noted in Ba8-xEuxGa16Si30 that the E for guest atoms on the 2a site in the smaller cage significantly is decreased by Eu guest substitution. Table 1. Analysis of compositions by EDS, Rietveld structure refinement, lattice constant a [nm], density d [g/cm3], Hall carrier concentration n [1021 cm-3], and Hall mobility [cmV-1s-1] of Ba8-xAxGa16Si30 (A=Sr, Eu; x=0, 1, 2) samples. 1 Table 1 summarizes some properties of Ba8-xAxGa16Si30 (A=Sr, Eu; x=0, 1, 2) samples. From both EDS and structure refinement, the chemical compositions of the samples are deviated from the nominal ones (stoichiometry).
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