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New nanosized Gd–Ho–Sm doped M-type strontium hexaferrite for water treatment application: experimental and theoretical investigations
RSC Advances ( IF 3.9 ) Pub Date : 2020-7-2 , DOI: 10.1039/d0ra04722h M Elansary 1 , M Belaiche 1 , C Ahmani Ferdi 1 , E Iffer 1 , I Bsoul 2
RSC Advances ( IF 3.9 ) Pub Date : 2020-7-2 , DOI: 10.1039/d0ra04722h M Elansary 1 , M Belaiche 1 , C Ahmani Ferdi 1 , E Iffer 1 , I Bsoul 2
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In this paper, rare-earth doped M-type strontium hexaferrite magnetic nanoparticles SrHoxGdySmzFe(12−(x+z+y))O19 (x = y = z = 0.01) have been prepared by the sol–gel combustion method for the first time. The properties of the material were investigated using XRD, FTIR spectroscopy, Raman spectroscopy, SEM, UV-Vis spectroscopy, and VSM. X-ray analysis revealed that a magnetic single-phase was formed with a crystallite average size of 49 nm. FTIR spectra confirmed the formation of the structure of the hexaferrite phase. Raman analysis confirmed the formation of all crystallographic hexaferrite sites. A shift in the octahedral site frequencies and a significant shift were observed at site 12k and 2a, indicating that the doping elements occupied these sites. The SEM analysis showed that the particles were different in shape and slightly agglomerated. The EDS result confirmed the purity of the sample. The calculated band gap from the UV-Vis NIR spectroscopy spectra of the sample was 1.62 eV. The magnetic analysis of the sample material at room temperature revealed a coercivity of 5257.63 Oe, saturation magnetization of 67.72 emu g−1, remanence ratio of 0.52, a maximum magnetic energy product of 1.06 MGOe and Curie temperature of Tc = 765 K. First-principles calculations were conducted on multiple configurations of SrFe12−xXxO19 with x = 0, 0.5 and X = Sm, Gd, Ho. The site preference of each doping element was determined, and the effect of the doping on the structural, electronic, and magnetic properties of the compound was studied. The magnetic properties of this rare earth (Gd, Ho, Sm) doped strontium hexaferrite indicated that this compound could be used in both permanent magnets and water treatment application.
中文翻译：
用于水处理应用的新型纳米 Gd-Ho-Sm 掺杂 M 型六方锶：实验和理论研究
本文采用稀土掺杂M型锶六铁氧体磁性纳米粒子SrHo x Gd y Sm z Fe (12−( x + z + y )) O 19 ( x = y = z= 0.01) 首次通过溶胶-凝胶燃烧法制备。使用XRD、FTIR光谱、拉曼光谱、SEM、UV-Vis光谱和VSM研究材料的性质。X 射线分析表明，形成了具有 49 nm 微晶平均尺寸的磁性单相。FTIR光谱证实了六铁氧体相结构的形成。拉曼分析证实了所有结晶六方铁氧体位点的形成。在位点 12k 和 2a 观察到八面体位点频率的偏移和显着偏移，表明掺杂元素占据了这些位点。扫描电镜分析表明，颗粒形状不同，有轻微团聚。EDS 结果证实了样品的纯度。从样品的 UV-Vis NIR 光谱计算的带隙为 1.62 eV。样品材料在室温下的磁性分析显示矫顽力为 5257.63 Oe，饱和磁化强度为 67.72 emu g-1，剩磁比为0.52，最大磁能积为1.06 MGOe，居里温度为T c = 765 K。第一性原理计算对x = 0, 0.5的SrFe 12− x X x O 19的X = Sm、Gd、Ho。确定了每种掺杂元素的位点偏好，并研究了掺杂对化合物结构、电子和磁性的影响。这种稀土（Gd、Ho、Sm）掺杂的锶六铁氧体的磁性表明该化合物可用于永磁体和水处理应用。
更新日期：2020-07-02
中文翻译：
用于水处理应用的新型纳米 Gd-Ho-Sm 掺杂 M 型六方锶：实验和理论研究
本文采用稀土掺杂M型锶六铁氧体磁性纳米粒子SrHo x Gd y Sm z Fe (12−( x + z + y )) O 19 ( x = y = z= 0.01) 首次通过溶胶-凝胶燃烧法制备。使用XRD、FTIR光谱、拉曼光谱、SEM、UV-Vis光谱和VSM研究材料的性质。X 射线分析表明，形成了具有 49 nm 微晶平均尺寸的磁性单相。FTIR光谱证实了六铁氧体相结构的形成。拉曼分析证实了所有结晶六方铁氧体位点的形成。在位点 12k 和 2a 观察到八面体位点频率的偏移和显着偏移，表明掺杂元素占据了这些位点。扫描电镜分析表明，颗粒形状不同，有轻微团聚。EDS 结果证实了样品的纯度。从样品的 UV-Vis NIR 光谱计算的带隙为 1.62 eV。样品材料在室温下的磁性分析显示矫顽力为 5257.63 Oe，饱和磁化强度为 67.72 emu g-1，剩磁比为0.52，最大磁能积为1.06 MGOe，居里温度为T c = 765 K。第一性原理计算对x = 0, 0.5的SrFe 12− x X x O 19的X = Sm、Gd、Ho。确定了每种掺杂元素的位点偏好，并研究了掺杂对化合物结构、电子和磁性的影响。这种稀土（Gd、Ho、Sm）掺杂的锶六铁氧体的磁性表明该化合物可用于永磁体和水处理应用。
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