کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7956756 1513838 2017 19 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Codoping of Ni and Fe in tetragonal BaTiO3
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
Codoping of Ni and Fe in tetragonal BaTiO3
چکیده انگلیسی
Density functional theory and generalized gradient approximation including a Hubbard-like term were used in the present investigation of tetragonal barium titanate crystal codoped with Ni and Fe impurities. Ubiquitous in any oxide material oxygen vacancy defect has been considered as well. Atomic shifts from their positions in pure crystal state as well as electronic and magnetic features are studied and described in the present work. Based on the density of states patterns we also provide insight into electrical conductivity of BaTiO3 for different cases.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Condensed Matter - Volume 13, December 2017, Pages 49-54
نویسندگان
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