کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5490454 | 1524780 | 2017 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principle investigation on electronic structure, magnetism and multiferroicity of BiMn3Fe4O12
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The lattice parameters, electronic structure, magnetism and multiferroicity of compound BiMn3Fe4O12 were investigated by using the first-principle calculations. The total energy calculations indicated that BiMn3Fe4O12 was a G-type antiferromagnetic insulator. The ferroelectricity was induced by magnetism and originated from the hybridization between Fe and Mn ions. The electric polarization was predicted to be around 39 μC/m2 along ã1 1 1ã orientation. It was sensitive to the lattice distortion such as Fe ion shift of FeO6 octahedron and a great improvement in electric polarization could be possibly achieved by strain engineering or inducing chemical pressure. Furthermore, the effects of on-site Coulomb repulsion on electronic structure, magnetism, and ferroelectricity were also discussed. It was showed that with increasing U the spin splitting increased, resulting in an increased ban-gap and hybridization between Fe and Mn ions, and then electric polarization.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 441, 1 November 2017, Pages 296-302
Journal: Journal of Magnetism and Magnetic Materials - Volume 441, 1 November 2017, Pages 296-302
نویسندگان
Ming Zhang, Shenye Lin, Kun Ren, Zhaohui Wang, Yanhong Pan, Yan Wang, Yanlei Cui, Wei Zhang, Ruzhi Wang,