Er_2Fe_(17-x)Al_x(x=2,5)化合物的中子衍射研究

利用Rietveld分析方法对Er2 Fe17-xAlx(x =2 ,5)在室温下的中子衍射实验数据进行了精修。Er2 Fe15Al2 化合物具有Th2 Ni17型六角结构 ,空间群为P6 3/mmc ,Al原子分别占据 12 j(占位数0 2 1)和 12k(占位数 0 13)位 ;Er2 Fe12 Al5化合物具有Th2 Zn17型三角结构 ,空间群为R 3m ,Al原子分别占据 18f(占位数 0 35)、18h(占位数 0 36 )和 6c(占位数 0 37)位。所有的Fe原子磁矩间为铁磁性耦合。Er原子磁矩与Fe原子磁矩间为亚铁磁耦合。在 2个样品中 ,磁矩均位于垂直于六重轴的平面内 ,呈面磁晶各向异性。给出了居里温度TC,并对磁性能和结构之间的关系进行了简单的讨论。     

稀土永磁材料Er_2Fe_(15)Mn_2C的中子衍射研究

用中子衍射方法研究了 2∶17型稀土铁基化合物Er2 Fe15Mn2 C的晶体结构和磁结构。研究结果表明 :Er2 Fe15Mn2 C为Th2 Ni17型六角结构 ,空间群为P63 /mmc ,居里温度TC=34 9K ,Mn原子在12k、12 j、6g和 4 f四个晶位均发生替代 ,占位数分别为 0 0 39、0 168、0 0 2 2和 0 336。室温下所有磁性原子的磁矩均位于垂直于六重轴的平面内 ,Er次晶格的磁矩方向与 (Fe ,Mn)次晶格的相反     

稀土永磁材料Er2Fe15Mn2C的中子衍射研究

用中子衍射方法研究了2:17型稀土铁基化合物Er2Fe15Mn2C的晶体结构和磁结构。研究结果表明：Er2Fe15Mn2C为Th2Ni17型六角结构,空间群为P63/mmc,居里温度Tc=349K,Mn原子在12k、12j、6g和4f四个晶位均发生替代,占位数分别为0.039、0.168、0.022和0.336。室温下所有磁性原子的磁矩均位于垂直于六重轴的平面内,Er次晶格的磁矩方向与（Fe、Mn）次晶格的相反。     

Neutron diffraction study of Er2Fe15Al2 and Er2Fe12Al5

The crystallographic and magnetic structures of Er2Fe15Al2 and Er2Fe12Al5 have been refined in Gaussian peak-shape by Rietveld analysis of Neutron diffraction data.The refined results indicated that Er2Fe15Al2 compound has Th2Ni17-type hexagonal structure (space group:P6 3/mmc) and Er2Fe12Al5 has Th2Zn17-type rhombohedral structure (space group:R3m),The Al atoms prefer 12j and 12k sites with occupancies 0.21 and 0.13 ,respectively,in Er2Fe15Al2 and prefer 18f,18h and 6c sites with occupancies 0.35,0.36 and 0.37,respectively ,in Er2Fe12Al5,The magnetic moments of all Fe atoms display ferromagnetically arrangement and the moments of Eratoms couple ferrimagnetically to the moments of the Fe atoms .The moments lie in the plane perpendicular to the six-fold axis and exhibit planar magnetic anisotropy in both samples,The values of Tc were given and the neutron refined results coincide with that of the magnetic measurements .The relation between magnetic properties and structures was discussed.     

新型稀土永磁材料Nd_2Fe_(17-x-y)Nb_xAl_y的中子衍射分析及磁性能研究

通过X射线衍射、中子衍射及磁测量等研究了Nb、Al双取代对Nd2Fe17-x-yNbxAly化合物结构和磁性能的协同影响。X射线衍射结果表明,Nd2Fe17-x-yNbxAly的晶胞体积几乎随Al含量的增加而线性增加,当Al含量相同时,Nb的加入引起晶胞体积的增大。中子衍射分析结果表明,Nb优先占据6c晶位,Al优先占据18h晶位。磁测量结果表明,0.0≤y≤3.0时,单取代的Nd2Fe17-yAly化合物的居里温度随Al含量的增加先升高后降低,但双取代的Nd2Fe16.5-yNb0.5Aly化合物的居里温度却随Al含量的增加而线性升高,这表明Nb、Al双取代对磁性能的改善会产生协同效应。     

Fe掺杂SnO_2稀磁半导体超精细场的第一性原理计算

采用基于密度泛函理论线性缀加平面波方法的WIEN2k程序,计算Fe掺杂SnO2稀磁半导体的电子结构和磁性,计算中性电荷态Fe0和电荷受主态Fe1-或Fe2-。结果表明,Fe掺杂SnO2的基态都是铁磁态,O空位更容易出现在Fe原子周围。中性电荷态Fe0磁矩较小,Fe1-或Fe2-态磁矩变大,并且计算的磁超精细场和磁矩与穆斯堡尔谱测量结果相符合。电子结构分析表明,掺杂Fe-3d轨道与氧八面体O-2p轨道相互作用,造成3d轨道能级分裂。不同电荷态下,能级分裂的程度不同,从而影响电子填充3d轨道的模式。3d轨道中未成对电子数增加,处于高自旋态的Fe原子是产生巨磁矩的原因。     

基于中子衍射的六方相Er1-xYxMnO3结构和磁学性能研究

为研究六方钙钛矿氧化物中磁结构和稀土离子对磁性能的影响,以六方相ErMnO3为母体,通过非磁性Y3+离子对磁性稀土Er3+离子的替代,利用X射线衍射、中子粉末衍射和磁性测量等表征手段,对六方化合物Er1-xYxMnO3的晶体结构和磁性进行系统研究。研究结果表明,Y3+离子的掺杂并未引起晶体结构和磁结构的明显改变,同时发现六方晶体结构随温度的增加呈各向异性热膨胀,在ab面内膨胀而沿着c轴收缩。中子衍射实验结果表明,Er04Y06MnO3样品的有序温度约为79 K,低温下系统的基态为反铁磁性,结构为Γ2（P63c′m′）或Γ4（P63′c′m）组态,与Er08Y02MnO3相同。磁化测试结果表明,非磁性Y3+离子掺杂量的增加削弱了磁化强度,2 K时磁性稀土离子Er3+的自旋有序在外磁场下表现出铁磁信号。该研究阐明了Er1-xYxMnO3的磁性本质和稀土磁性调控特性,为其潜在应用提供了有力指导。     

LaNi5-xAlxDy的中子衍射研究

分别测量了LaNi4.25Al0.75和LaNi4.75Al0.25两种合金样品在未吸氘及不同含氘量的氘化物样品的中子衍射谱，用Rietveld程序拟合出它们的晶体结构，并观察到了一些过去未曾注意的现象。LaNi4.25Al0.75在吸氘过程中，氘原子优先占据的原子坐标为（0．17，0．32，0．45）。     

纳米复合永磁合金Nd9Fe85-xMnxB6的结构和磁性

利用X射线衍射(XRD)和X射线吸收精细结构(XAFS)技术对淬火速度为20m／s的退火和未退火Nd9Fe85-xMnxB6(x=0，0．5和1．0)样品分别进行了晶体结构和Fe原子局域环境的分析，并用振动样品磁强计分析了样品的磁性。结果表明：退火前，掺杂微量Mn原子对纳米复合Nd-Fe-B磁性材料的晶体结构和近邻配位无序度都有显著影响，随着Mn含量的增加，Nd2Fe14B硬磁相和α-Fe软磁相的结晶度明显增加；在温度为973K、5min退火后，Nd9Fe85-xMnxB6(x=0，0．5和1．0)磁体的主相结构基本相同，但矫顽力由339kA／m增加到398kA／m,我们认为这是由于掺杂的Mn原子影响Nd2Fe14B和α-Fe颗粒晶界的交换耦合作用所致。     

DyxEr5－xSi3系列化合物晶体结构和磁性研究

利用电弧炉制备了DyxEr5－xSi3（x＝0,1,2,3,4,5）系列化合物样品。通过X射线粉末衍射分析和磁性测量研究了Dy替代Er对Er5Si3化合物晶体结构和磁性的影响。结果表明：DyxEr5－xSi3（x＝0,1,2,3,4,5）系列化合物的晶体结构为Mn5Si3型,随着Dy替代量的增加,晶胞体积变大。当0≤x≤2时,样品具有反铁磁性,顺磁居里温度由负值（x＝0）变为正值;而x＝3,4时,样品显现铁磁性,顺磁居里温度均为正值。虽然磁性原子及其相互作用的变化对磁性能影响很大,但所有样品的磁有序转变温度都很好地遵守了DeGennes定律。     

Neutron diffraction study of Er2Fe15A12 and Er2Fe12A15

The crystallographic and magnetic structures of Er2Fe15Al2 and Er2Fe12Al5 have been refined in Gaussian peak-shape by Rietveld analysis of Neutron diffraction data. The refined results indicated that Er2Fe15Al2 compound has Th2Ni17-typc hexagonal structure (space group: P63/mmc) and Er2Fe12Al5 has Th2Zn17-type rhombohedral structure (space group:R 3m). The Al atoms prefer 12j and 12k sites with ccupancies 0.21 and 0.13, respectively, in Er2Fe15Al2 and prefer 18f, 18h and 6c sites with occupancies 0.35, 0.36 and 0.37, respectively, in Er2Fe12Al5. The magnetic moments of all Fe atoms display ferromagnetically arrangement and the moments of Er atoms couple ferrimagnetically to the moments of the Fe atoms. The moments lie in the plane perpendicular to the six-fold axis and exhibit planar magnetic anisotropy in both samples. The values of Tc were given and the neutron refined results coincide with that of the magnetic measurements. The relation between magnetic properties and structures was discussed.     

La1-xCaxMn0.96Fe0.04O3（x=0.31、0.5、0.6）的中子衍射研究

利用Rietveld分析方法对钙钛矿锰氧化物La_1-xCa_xMn_0.96Fe_0.04O₃（x=0.31、0.5、0.6）室温下中子衍射实验数据进行拟合。结果表明，La_1-xCa_xMn_0.96Fe_0.04O₃化合物具有MnO₆八面体，空间群为Pnma，La（Ca）原子占据4c晶位，Mn（Fe）原子占据4b晶位，O原子分别占据4c和8d晶位。根据拟合结果，计算出Mn-O键的键长和Mn-O-Mn的键角，并对该系列样品结构和磁性能间的关系进行了简单讨论。     

The crystal structure of Th3B2C3

The crystal structure of Th₃B₂C₃ has been determined by single crystal X-ray analysis. The lattice parameters of the monoclinic cell (first setting) are: $\text{a = 3.703 (2)}\text{A}\text{?}\text{, b = 9.146 (4)}\text{A}\text{?}\text{, c = 3.773 (1)}\text{A}\text{?}\text{and γ = 100.06 (7)°}$; space group: P2/m (C$\text{1}\text{2}{}_{\mathrm{h}}$), Z = 1. Intensity measurements were obtained from a fourcircle diffractometer. The structure was solved by Patterson methods and refined by full matrix least squares calculation. For an asymmetric set of 401 independent reflexions the final R-value is 0.079. The structure contains octahedra, tetrahedra and trigonal prisms of Th-atoms. The trigonal prisms are centered by boron atoms, Th-octahedra by carbon atoms Cl; Carbon atoms C2 actually have octahedral coordination 5 Th + 1 B. The structural chemistry of Th₃B₂C₃ with respect to the crystal structures of ThC and ThBC is discussed.     

中子衍射研究Ho_2Fe_9Ga_2Al_6和Ho_2Fe_9Ga_6Al_2的

在中子三轴谱仪上用粉末中子衍射测定室温下Ｈｏ２Ｆｅ９Ｇａ２Ａｌ６和Ｈｏ２Ｆｅ９Ｇａ６Ａｌ２的晶体结构和磁结构，衍射数据用Ｉｚｕｍｉ的Ｒｉｅｔｖｅｌｄ分析程序ＲＩＥＴＡＮ进行轮廓精修处理，确定替代原子Ｇａ、Ａｌ的占位及占位数以及磁性原子Ｈｏ、Ｆｅ的原子磁矩的大小和方向。Ｈｏ２Ｆｅ９Ｇａ２Ａｌ６显顺磁性，Ｈｏ２Ｆｅ９Ｇａ６Ａｌ２显亚铁磁性，显单轴各向异性。并给出了居里温度和饱和磁化强度随Ｇａ、Ａｌ含量的变化关系。     

用中子粉末衍射方法研究Ho2Fe17系列化合物的磁结构

在中子三轴谱仪上用中子粉末衍射方法测定了室温下样品Ａ（Ｈｏ２Ｆｅ１３Ａｌ４Ｃ）、Ｂ（Ｈｏ２Ｆｅ１３Ｇａ４Ｃ２）、Ｃ（Ｈｏ２Ｆｅ９Ｇａ４Ａｌ４）和Ｄ（Ｈｏ２Ｆｅ９Ｇａ６Ａｌ２）的晶体结构和磁结构。衍射数据用Ｉｚｕｍｉ的Ｒｉｅｔｖｅｌｄ分析程序ＲＩＥＴＡＮ进行轮廓精修处理，确定了替代原子Ｇａ、Ａｌ和间隙原子Ｃ的占位及占位数以及磁性原子Ｈｏ、Ｆｅ的原子磁矩的大小和方向。样品Ａ、Ｂ和Ｄ显亚铁磁性，Ｃ显顺磁     

Effects of Nd:YAG laser irradiation on structural and magnetic properties of Li0.5Fe2.5O4

In the present paper we report our results on the effect of Nd:YAG laser irradiation on the structural and magnetic properties of Li_0.5Fe_2.5O₄ spinel ferrite prepared by solid-state reaction technique. X-ray diffraction analysis was carried out to confirm the formation of the single phase cubic spinel structure. The lattice constant calculated from X-ray diffraction data (XRD) goes on increasing with non irradiated phase to exceeding higher doses of irradiation. The distribution of the substituted ions over the different lattice sites is determined from XRD and infrared spectra. The damage structure and morphological investigations were carried out by using scanning electron microscopy and transmission electron microscopy techniques. It has been observed from our data on magnetic properties that laser irradiation severely affects the magnetization. From the magnetization measurements it has been observed that the saturation magnetization decreases with increase in the laser dose rate. The observed reduction in the saturation magnetization after irradiation is understood on the basis of the partial formation of paramagnetic centers and rearrangement of cations in the lattice.