کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7987980 | 1515533 | 2018 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Effect of Fe-site isovalent and aliovalent doping on the magnetic, electric and optical properties of BiFe0.875Cr0.125O3
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
The magnetic, electric and optical properties of BiFe0.875Cr0.125O3 (BFCO) doped with aliovalent ions (Na+, Mg2+) and isovalent ion (Al3+) are investigated by the first principle spin-polarized density functional theory calculations. It is demonstrated that the substitution of M (M = Na+, Mg2+, Al3+) for Fe can produce net magnetic moments of 3.0, 2.0 and 3.0 μB, respectively. Besides, Na+ doped BFCO exhibits metallicity while Mg2+ doped system behaves as half-metallicity. Systematic study of electronic structures show that this conversion from semiconductor (BFCO) to half-metal or metal is mainly attributed to the shifting of O 2p, Bi 6s, and Cr 3d states induced by doping with aliovalent Na+ or Mg2+. Furthermore, the aliovalent ions doped samples express high static dielectric constants of 12.08, 29.44, large refractive indexs of 5.41, 3.46 and both their absorption edges near zero, suggesting advanced optical response in visible region of the doped samples.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 270, February 2018, Pages 12-16
Journal: Solid State Communications - Volume 270, February 2018, Pages 12-16
نویسندگان
Yunhua Zhou, Ren Zhang, Yingfang Fan, Zhongchao Wang, Weiwei Mao, Jian Zhang, Yonggang Min, Jiangping Yang, Yong Pu, Xing'ao Li,