Nd2Fe14B的价电子结构分析和磁性计算

应用固体与分子经验电子理论计算了Nd₂Fe₁₄B的价电子结构、磁矩和居里温度,计算结果与实验值相符.计算表明:该合金的磁性与3d磁电子数成正比.从Fe(c)晶位到Fe(k₂)晶位磁矩增加,其机理源于价电子、哑对电子和3d磁电子之间的转化,有78%的哑对电子和18%的3d共价电子转化成了磁电子.居里温度和磁矩与Fe原子配位数成正比,与加权等同键数I^σ成反比,Nd原子 关键词： 2Fe₁₄B')" href="#">Nd₂Fe₁₄B 价电子结构 居里温度     

Pr2(Fe0.8Co0.2)14B磁结构的中子衍射研究

本文报道用中子衍射测定的含硼稀土过渡族金属间化合物Pr₂(Fe_0.8Co_0.2)₁₄B的晶体结构与磁结构。将中子三轴谱仪用作二轴粉末衍射仪,在室温测该化合物粉末样品的中子衍射强度,用轮廓精化法弥合衍射数据。该化合物属Nd₂Fe₁₄B类四方结构,α=8.8110?,c=12.2307?。设Pr,Fe和Co原子磁矩间为铁磁耦合,同一晶位的Fe,Co原子磁矩相等,存在沿c轴的易磁化 关键词：     

Si对Nd2Fe14B四方相结构和磁性的影响

本文对Si加入Nd₂Fe₁₄B四方相后所形成的合金相的结构和磁性进行了研究。结果表明,Si加入Nd₂Fe₁₄B四方相后并不破坏它的结构(Si的含量可达B的两倍),而形成Nd₂(Fe,Si)₁₄B赝三元金属间化合物。随着Si含量的增加,晶格常数和饱和磁化强度随之减小,但居里温度则随之增加。Si的加入,并不改变Nd₂Fe₁₄B的室温各向 关键词：     

取向Pr2Fe14B与Nd2Fe14B多晶磁化曲线的 计算

基于单离子晶场模型,提出了计算稀土-Fe(Co)金属间化合物取向多晶样品磁化曲线的方法.用此方法计算了取向Pr₂Fe₁₄B和Nd₂Fe₁₄ B多晶的高场磁化曲线,计算中使用了拟合化合物单晶磁化曲线得到的交换场与晶场参数.计 算曲线与实验曲线相符合. 关键词： 磁化曲线 晶场 2Fe₁₄B')" href="#">R₂Fe₁₄B     

Nd2(Fe,Si)17合金的结构与磁性

本文对Nd-Fe-Si三元系富铁区域相的结构和磁性进行了研究。结果表明,Nd-Fe-Si三元系富铁区域(Fe>40at％),除出现NdFe₂Si₂三元金属间化合物外(Si>20at％),同时只出现Nd₂(Fe,Si)₁₇赝二元金属间化合物,其中Si取代9d位的Fe原子,而不能形成类似于Nd₂Fe₁₄B的三元金属间化合物,Si取代Nd₂Fe₁₇中的9d位Fe原子后,使晶胞体积缩小;使饱和磁化强度减小;同时使Fe次晶格的铁磁相互作用增强,导致居里温度增高;还使得Fe次晶格的易面各向异性减弱,造成室温下各向异性场减小。 关键词：     

易轴取向对Nd2Fe14B/α-Fe双层膜退磁过程影响的微磁学分析

运用一维和三维微磁学模拟探究了易轴与外场存在偏角β情况下Nd₂Fe₁₄B/α-Fe 双层膜的磁矩反转过程, 计算了磁矩反转过程中磁滞回线和磁能积, 并与实验结果进行了对比. 计算结果表明, 在膜面内的易轴偏角β严重影响磁矩反转过程. 当β≠0°时, 磁矩反转过程中无明显成核现象, 随着易轴偏角β的增大, 剩磁显著减小, 磁滞回线方形度变差, 导致磁能积急剧减小. 对于Nd₂Fe₁₄B(10 nm)/α-Fe(8 nm)双层膜, β=10°时, 最大磁能积下降30.3%. 在磁矩反转过程中, 总能量最大时对应的外磁场能随易轴偏角的增大而减小, 交换作用能先增大后减小, 磁晶各向异性能则随着易轴偏角的增大而增大. 软磁相厚度越大, 双层膜的磁能积受易轴偏角影响越大. 在膜面外的易轴偏角对磁矩反转过程也有类似的影响. 关键词： 微磁学模拟 磁晶易轴 磁能积 能量     

Nd2Fe14B化合物磁晶各向异性起源的理论研究

本文根据Nd₂Fe₁₄B化合物中存有少量巡游电子的基本实验事实,提出了在Nd₂Fe₁₄B中配位子所产生的晶场和巡游电子所产生的电场共同造成了Nd离子磁晶各向异性的理论模型。提出并解决了计算巡游电子同中心Nd离子相互作用的理论方法。在同时考虑Nd离子所受配位子的晶场和巡游电子的电场的作用情况下,用单离子模型计算了Nd₂Fe₁₄B中Nd离子所产生的磁晶各向异性及其随温度的变化。所 关键词：     

R2Fe17-xAlx化合物中R-T交换耦合常量的计算

讨论了利用分子场近似结合中子衍射或X射线衍射的实验结果计算R₂Fe₁₇型稀土过渡族化合物中稀土磁矩与过渡族磁矩之间交换耦合常量的方法,并据此计算了R₂Fe_17-xAl_x(R=Tb,Dy,Ho,Er,Gd,x=7或8)化合物中稀土磁矩与过渡族磁矩之间的交换耦合常量.计算结果与实验值符合较好. 关键词： 2Fe_17-xAl_x化合物')" href="#">R₂Fe_17-xAl_x化合物 交换耦合常量     

Ti掺杂Nd2Fe14B/α-Fe纳米双相复合永磁体晶化动力学

纳米双相复合稀土永磁材料,利用硬磁相高磁晶各向异性和软磁相高饱和磁化强度的优点,通过铁磁交换耦合作用获得优异的磁性能.但是如何解决软硬磁双相纳米微结构不匹配的问题,控制软硬磁相同时达到理想的纳米尺度复合是关键.本文研究了掺杂合金元素Ti对熔体快淬法制备的Nd₂Fe₁₄B/α-Fe快淬薄带晶化过程的影响.结果表明,掺杂合金元素Ti能影响Nd₂Fe₁₄B/α-Fe交换耦合磁体整个晶化动力学过程,使α-Fe相的晶化激活能升高,抑制其从非晶相中析出.同时,降低1∶7亚稳相的晶化激活能,起到稳定亚稳相的作用.而且随着晶化温度的进一步提高, α-Fe和Nd₂Fe₁₄B两相由1∶7亚稳相分解产生,从而有效避免了α-Fe相的优先析出.显微组织观察表明,掺杂Ti的样品晶粒细小、分布均匀,平均晶粒尺寸在20 nm左右,没有特别大的α-Fe粒子出现.当Ti的掺杂量原子百分数为1.0%时,获得了最佳磁性能(BH)_max=12 MG·Oe(1 G=10     

复相Nd4.5Fe76.3Ga0.3Co1.0B18合金的结构与磁性

利用快淬法制备了Nd_4.5Fe_76.3Ga_0.3Co_1.0B₁₈非晶合金,晶化处理后获得主相为Fe₃B与Nd₂Fe₁₄B的纳米晶永磁材料.采用X射线衍射、透射电子显微镜及磁测量手段分析研究了材料的微观结构与磁性能,并通过测量磁体的δM曲线,研究了晶粒间的交换耦合作用及其与微观结构、磁性能的关系. 关键词：     

Magnetic characteristics of R2(Fe, Co)14B systems (R = Y, Nd and Gd)

R₂(Fe, Co)₁₄B compounds (R = Y, Nd and Gd) were prepared in high purity. The magnetic behavior of R₂(Fe, Co)₁₄B compounds is reported over the temperature range 4 to 300 K. The effects of Fe substitution by Co on the saturation magnetization, Curie temperature and anisotropy are presented. The spin-reorientation temperature is lowered as Co replaces Fe. This also results in a reduced cone angle.

The R₂Fe_14−xCo_xB alloys crystallize in the tetragonal structure over the entire concentration range of 0 x 14. When Fe is substituted by Co, the Curie temperature increases significantly, the saturation magnetization increases to a maximum value around x = 2, and the anisotropy becomes planar for R = Y and Gd. The Nd₂(Fe, Co)₁₄B systems all exhibit uniaxial anisotropy at room temperature and Nd₂Co₁₄B is strongly uniaxial at 77 K. The Nd₂(Fe, Co)₁₄B systems are conical at 77 K.     

冲击波诱导Nd_2Fe_(14)B磁相变的理论计算研究

根据Nd2Fe14B的冲击加载实验,计算了3.3—7.2 GPa压力范围内冲击波阵面上压力与温度的关系.基于分子场理论,引入压力等效场,改进了双亚点阵理论模型,并分析了在不同温度和压力下Nd2Fe14B的磁性转变机理.计算了压力对Nd2Fe14B磁致伸缩系数、磁化率、磁化强度以及居里温度的影响,给出了Nd2Fe14B发生铁磁–顺磁相变的压力和温度判据.计算结果表明:压力使Nd2Fe14B的居里温度逐渐向低温区转移,当压力从0 GPa增加到1.15 GPa时,居里温度从584 K降至292 K;随着压力的增加,Nd2Fe14B的磁化强度不断下降,且临界去磁压力随温度的升高呈下降趋势;在3.3—7.2 GPa压力范围内,Nd2Fe14B发生了铁磁-顺磁相变.     

Magnetic properties of Gd2Fe14−xCoxB compounds

The magnetization of magnetically-aligned Gd₂Fe_14−xCo_xB samples with x = 0, 2, 4, 6, 8.4, 11.2 and 14 has been measured at 4.2 K in fields up to 14 T and the anisotropy fields have been derived. The effect of substitution of Co for Fe on the magnetic properties of Gd₂Fe₁₄B has been investigated.     

Phase formation and magnetic properties of Nd2Fe14B-type Nd16Co76B8−xCx alloys and their hydrides

An attempt is made to synthesize Nd₂Co₁₄C compound by mechanical alloying Nd₁₆Co₇₆B_8−xC_x (0x8) alloys and subsequent annealing. Phase formation and magnetic properties of Nd₂Fe₁₄B-type Nd₁₆Co₇₆B_8−xC_x alloys and their hydrides are investigated. The Nd₂Co₁₄(B,C) phase with Nd₂Fe₁₄B-type structure is formed for Nd₁₆Co₇₆B_8−xC_x (0x7) alloys, while NdCo₇C_δ phase with TbCu₇-type structure is observed in Nd₁₆Co₇₆C₈ alloy. The lattice parameter c of the Nd₂Co₁₄(B,C) phase decreases with increasing the carbon content. A limit volume of the unit cell to form the Nd₂Fe₁₄B-type structure is estimated to be 0.870 nm³. The spin-reorientation temperature T_SR increases with increasing the carbon content, due to an enhancement of magnetocrystalline anisotropy caused by carbon substitution for boron. After hydrogenation, the lattice expansion is observed for Nd₁₆Co₇₆B_8−xC_x (0x7) alloys. The spin-reorientation temperature of Nd₁₆Co₇₆B_8−xC_xH_y (0x7) is much lower than that of the host alloys. Some structural and magnetic properties of hypothetic Nd₂Co₁₄C and Nd₂Co₁₄CH_y compounds are estimated by extrapolation.     

Magnetic properties and spin reorientation of iron rare earth based intermetallics

The Curie temperature and saturation magnetization M_s(μ_B/f.u.) of R₂Fe₁₄B have been discussed. The spin reorientations of Nd₂Fe₁₄B compounds have been studied by many authors with various methods, but have not been checked with the neutron diffraction method. We investigated the spin reorientation of Nd₁₅Fe₇₈B₇ by neutron diffraction and obtained θ = 26°34' at 77 K which is in good agreement with other authors' results. The small amount substitution of Si for Fe in Nd₂(Fe_1−xSi_x)₁₄B increases T_c and _cH_c of the compound. These will be able to make an advantage for Nd-Fe -B magnets.     

Improvement of the magnetic properties of low-neodymium magnets by minor addition of titanium

Rapidly solidified nanocomposite Nd₉Fe_77−xB₁₄Ti_x alloys, consisting of magnetic Nd₂Fe₁₄B phase and soft magnetic phases, were investigated. The effect of titanium addition on the structure and magnetic properties was studied. It was found that 2–4 at% Ti addition leads to substantial increase of the coercivity and maximum energy product, maintaining the remanence unchanged. The highest properties: J_r=0.81 T, _JH_c=907 kA/m, (BH)_max=99 kJ/m³, were achieved for the Nd₉Fe₇₃B₁₄Ti₄ alloy. This effect we attribute to the formation of fine and homogeneous grain structure and a change of the phase morphology in the Ti-containing alloys. The initial magnetization curve indicates a change of the coercivity mechanisms giving rise to pinning of domain walls, which is caused by reduction of the crystallite size.     

Study of the magnetic structure for Nd2Fe14B

The method of multi-ion crystal field calculation is applied to compute the magnetic structure of Nd₂Fe₁₄B. By means of fitting calculation, a set of crystal field coefficients, cone angle θ (32°) of spin direction and the temperature of spin reorientation T_sr (130 K) are obtained, which are in good agreement with experiment. The magnetic structure of the rate earth ion Nd is determined from the calculation.     

质子辐照对永磁合金微观结构演化的研究

钐钴和钕铁硼稀土永磁合金已经广泛应用于粒子加速器的波荡器和其他器件中,作为加速器的重要组成部分,永磁合金在辐照环境中长期服役会出现磁性能损失的现象,这会影响束流的品质.为了探讨产生这个现象的微观机理,采用透射电镜对质子辐照前后的钐钴和钕铁硼稀土永磁合金进行了微观结构演化的表征和分析,统计了由辐照析出的纳米晶体积密度和粒径分布,并讨论了微观结构演化对宏观磁性能损失的影响.结果表明,随着质子辐照损伤程度的增加,永磁合金的微观结构从单晶结构转变为纳米晶多晶结构,且纳米晶和基体的晶体结构相同.钕铁硼的纳米晶体积密度先增大后减小,粒径分布先增大后不变;钐钴的纳米晶体积密度逐渐减小,粒径逐渐增大.在2 dpa的质子辐照损伤程度下,钕铁硼稀土永磁合金比钐钴永磁合金的非晶化趋势更明显.     

Magnetic behavior of 3d dopants in superconducting REBa2Cu3−xFexO7+δ (RE=Dy, Er)

Mössbauer studies on ⁵⁷Fe-doped superconducting REBa₂Cu₃O_7+δ (RE=Er, Dy) were made as a function of temperature for x=0.15 and 0.30. The magnetic behavior of the 3d dopants, which mainly occupy Cu(1) sites, undergoes antiferromagnetic ordering which is coexistent with superconductivity at low temperature. The dimensionality of the magnetic interaction changes from 2D to 3D when the rare earth changes from Er to Dy. the line-widths of the Mössbauer subspectra are characteristic of magnetic fluctuation behavior in the vicinity of a phase transition. Combining these results with those of Fe-doped Y-123 (pseudo 1D) and Gd (3D), the magnitude of the rare earth moments appears to be strongly correlated with the dimensionality of the magnetic interaction of Fe dopants in these compounds. However, the Mössbauer spectrum for ¹⁵⁵Gd in GdBa₂Cu_2.85Fe_0.15O_7+δ (T_{N(Fe) 14 K}) shows no magnetic order at 4.9 K.