کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7920778 1511519 2015 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The phase stability of Ca2TiO4 and related Ruddlesden-Popper phases
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
The phase stability of Ca2TiO4 and related Ruddlesden-Popper phases
چکیده انگلیسی
The Ruddlesden-Popper phases of the Ca-Ti-O system, Can+1TinO3n+1, are investigated by means of atomistic simulations employing empirical pair potentials. The stability of the phases is examined in terms of various reaction schemes: the formation from the binary oxides, the addition of the perovskite oxide to a given phase, and the reaction between perovskite and rock-salt oxides. The energies of these reactions are compared with results previously obtained for the Ruddlesden-Popper phases of the Sr-Ti-O system. The importance of the disproportionation reaction of the various R-P phases in both Ca and Sr systems is also emphasized. The results obtained are in good agreement with experimental observations regarding both systems.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 86, November 2015, Pages 90-94
نویسندگان
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