当前位置: X-MOL 学术Phys. B Condens. Matter › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
New nanosized (Gd3+, Sm3+) co-doped zinc ferrite: Structural, magnetic and first-principles study
Physica B: Condensed Matter ( IF 2.8 ) Pub Date : 2021-07-08 , DOI: 10.1016/j.physb.2021.413262
Y. Belaiche 1 , K. Minaoui 1 , M. Ouadou 1 , M. Elansary 2 , C. Ahmani Ferdi 2
Affiliation  

ZnFe2-x-yGdxSmyO4 (x = y = 0.01) ferrite nanoparticles with average size of 5 nm are synthesized by the co-precipitation method for the first time. X-Ray Diffractometer (XRD) revealed the formation of single-phase spinel with a high crystallinity. Fourier Transform Infrared (FTIR) confirmed the formation of spinel matrix crystallographic sites and Transmission Electron Microscopy (TEM) confirmed the formation of agglomerated spherical particles with nanometric sizes. The analysis of magnetic properties indicates a week ferrimagnetic behavior at low temperatures, while a superparamagnetic behavior is observed at high temperatures. The blocking temperature value is 55 K. A DFT study was performed on the normal, mixed and Sm–Gd co-doped spinel zinc ferrite using the GGA + U method to evaluate their ground state magnetic spin configuration and the effect of Sm3+ and Gd3+ doping on the structural, magnetic and electronic properties of zinc ferrite nanoparticles. It is found that the nanomaterial is most likely to adopt a ferrimagnetic spin arrangement with a degree of inversion close to 0.5. These results suggest that this material has significant function in the industry, which could be beneficial in point of view for telecommunication applications.



中文翻译:

新型纳米级 (Gd 3+ , Sm 3+ ) 共掺杂锌铁氧体:结构、磁性和第一性原理研究

ZnFe 2-xy Gd x Sm y O 4(x = y = 0.01) 首次通过共沉淀法合成了平均尺寸为 5 nm 的铁氧体纳米粒子。X 射线衍射仪 (XRD) 揭示了具有高结晶度的单相尖晶石的形成。傅里叶变换红外 (FTIR) 证实了尖晶石基质晶体学位点的形成,透射电子显微镜 (TEM) 证实了具有纳米尺寸的团聚球形颗粒的形成。磁性分析表明在低温下具有一周的亚铁磁行为,而在高温下观察到超顺磁行为。阻挡温度值为 55 K。使用 GGA + U 方法对正常、混合和 Sm-Gd 共掺杂尖晶石锌铁氧体进行 DFT 研究,以评估其基态磁自旋配置和 Sm 的影响3+和 Gd 3+掺杂对锌铁氧体纳米粒子的结构、磁性和电子特性。发现纳米材料最有可能采用反转度接近0.5的亚铁磁自旋排列。这些结果表明,这种材料在工业中具有重要作用,从电信应用的角度来看可能是有益的。

更新日期:2021-07-12
down
wechat
bug