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
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله

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
Journal: Computational Condensed Matter - Volume 13, December 2017, Pages 49-54
نویسندگان
Frank Maldonado, Soraya Jácome, Arvids Stashans,