کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
8032829 1517961 2018 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Density functional theory based interfacial studies of ABO3/SrTiO3 (A = La, Y, Sc, B = Al, Ga) and its relation to polar catastrophe
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فناوری نانو (نانو تکنولوژی)
پیش نمایش صفحه اول مقاله
Density functional theory based interfacial studies of ABO3/SrTiO3 (A = La, Y, Sc, B = Al, Ga) and its relation to polar catastrophe
چکیده انگلیسی
We have studied the density functional theory of epitaxially strained ABO3 (A = La, Y, Sc, B = Al, Ga) films on SrTiO3 (001) crystals with SrO- and TiO-terminations to investigate polar catastrophe induced by the epitaxial thin film growth. Interfacial polar nature of the strained films depends on the type of cations. While lanthanum based perovskite films produces polarity based on the ionic nature of interfacial atoms, the smaller cations show rather opposite polarities arising from progressive ferroelectric structural distortion acting opposite to the polar nature of cation ions.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Thin Solid Films - Volume 651, 1 April 2018, Pages 13-17
نویسندگان
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