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Novel magnetic nanomaterial Co0.7Zn0.3Fe2−xGdxO4 for nanotechnology applications: experimental and theoretical investigations
Journal of Materials Science: Materials in Electronics ( IF 2.8 ) Pub Date : 2021-09-18 , DOI: 10.1007/s10854-021-06913-3
El. Abouzir 1 , M. Belaiche 1 , M. Elansary 1 , C. Ahmani Ferdi 1 , I. Bsoul 2
Affiliation  

Co0.7Zn0.3Fe2−xGdxO4 (x = 0.02) ferrite nanoparticles with average size of 32 nm is synthesized by the co-precipitation method for the first time. X-ray diffraction spectra revealed the formation of single-phase spinel with a high crystallinity. Fourier transform infra-red spectra confirmed the formation of spinel matrix crystallographic sites and Scanning Electron Microscopy images confirmed the formation of agglomerated spherical particles with nanometric sizes. The analysis of the magnetic properties indicates that the coercivity (Hc) and Curie temperature (Tc) values increase while the saturation magnetization (Ms) value decreases upon doping with Gd. These results can be seen as a significant improvement of the magnetic properties compared to the undoped material, which could be beneficial for nanotechnology applications. The material is also studied from a theoretical perspective using first-principles calculations. The used PBE-HF method based on the GGA method with the implication of the onsite-exact-exchange proved to be very accurate in describing the system, giving rise to a semi-conducting behavior for the inverse spinel CoFe2O4 and a metallic electronic structure for Gd-doped Co0.7Zn0.3Fe2O4.



中文翻译:

用于纳米技术应用的新型磁性纳米材料 Co0.7Zn0.3Fe2−xGdxO4:实验和理论研究

Co 0.7 Zn 0.3 Fe 2− x Gd x O 4 ( x  = 0.02) 铁氧体纳米粒子的平均尺寸为32 nm 是首次通过共沉淀法合成。X 射线衍射光谱揭示了具有高结晶度的单相尖晶石的形成。傅里叶变换红外光谱证实了尖晶石基质晶体学位点的形成,扫描电子显微镜图像证实了具有纳米尺寸的团聚球形颗粒的形成。磁性能分析表明,矫顽力(H c)和居里温度(T c)值增加,而饱和磁化强度(中号小号)值在掺杂时以Gd减小。与未掺杂的材料相比,这些结果可以被视为磁性能的显着改善,这可能有利于纳米技术应用。还使用第一性原理计算从理论角度对材料进行了研究。所使用的基于 GGA 方法的 PBE-HF 方法与现场精确交换的含义被证明在描述系统时非常准确,导致反尖晶石 CoFe 2 O 4和金属的半导体行为Gd 掺杂 Co 0.7 Zn 0.3 Fe 2 O 4 的电子结构.

更新日期:2021-09-19
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