Dy在Nd2Fe14B晶格中的占位及其对Fe原子磁矩影响的第一性原理计算

基于第一性原理投影缀加波和梯度矫正局域密度近似(PAW-GGA), 研究了Nd₂Fe₁₄B和Dy₂Fe₁₄B的基态晶格属性, 进而对Dy在Nd₂Fe₁₄B晶格中的掺杂进行了研究, 并采用GGA+U的方式进行了原子磁矩计算, 并与自旋轨道耦合 (SOI) 计算结果进行了对照. 置换计算表明, Dy原子倾向于置换Nd₂Fe₁₄B晶格中4f位的稀土原子. 磁矩计算表明, 在R₂Fe₁₄B (R: 稀土元素) 晶格中, 4f位的稀土元素与Fe原子作用更强, 对磁性能的影响更大. 稀土原子与Fe的作用与距离呈正相关. 关键词： 2Fe₁₄B')" href="#">Nd₂Fe₁₄B 晶格占位 形成能 原子磁矩     

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：     

Nd2Fe14B单晶磁畴结构随厚度的变化

观察了Nd₂Fe₁₄B单晶磁畴结构随试样厚度的变化。发现试样厚度存在某个临界值L₀,小于此值时,在垂直于e轴表面上的畴纹呈迷宫形,大于此值时,迷宫形条状畴在加宽的同时,其表面出现按一定间隔分布的斑点,此即与基畴反向的锥形畴底部,随试样厚度的进一步增加,基畴宽度和锥形反向畴尺寸也随之增大,后者的数目也增多,甚至出现多重锥形畴结构,本文着重讨论了锥形畴的形成机制,并估算了锥形畸形成所对应的临界厚度L₀。此外,根据实验结果,计算了Nd₂Fe₁₄B相的畴壁能。 关键词：     

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：     

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     

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：     

热处理对非晶态合金Nd4Fe96-xBx磁性的影响

本文研究了用单辊急冷方法制备的非晶态合金Nd₄Fe_96-xB_x的晶化,以及热处理对其硬磁性和相组成的影响,发现非晶态合金Nd₄Fe_96-xB_x的晶化温度比相同B含量的非晶态合金Fe_100-xB_x高120—190K,X射线衍射和热磁测量表明,15≤x≤25的样品晶化相是由Nd₂Fe₁₄B(T 关键词：     

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     

Y2(Fe1-xSix)14B的中子衍射研究

Nd₂Fe₁₄B是一种磁能积很高的优良的永磁材料,但在实用上稍嫌它的居里温度低了一点。为了提高它的居里温度,人们曾用某些元素替代其中的一些铁作了尝试。文献[9]及我们最近的实验表明:用硅代替部分铁之后,材料的居里点都获得了提高。本文用中子衍射法研究了Si在Y₂Fe₁₄B中的占位情况,以了解Si对磁性能产生的影响。中子衍射的结果表明:Si择优地占据c,j₁及k₂晶位。最后,用磁交换作用对结果进行了讨论。 关键词：     

纳米晶复合Pr2Fe14B/α-Fe快淬薄带的织构与磁性

采用快淬方法制备了纳米晶复合Pr₂Fe₁₄B/α-Fe永磁薄带，研究了不同淬火速率对薄带织构和磁性的影响.通过改善快淬工艺，使得薄带中Pr₂Fe₁₄B相的晶粒在薄带的自由面形成显著的织构，Pr₂Fe₁₄B相晶粒易轴沿垂直于带面方向取向.分析了快淬凝固过程中Pr₂Fe₁₄B相的晶粒取向过程和机理，以及晶粒的大小和薄带结构的均匀性对薄带磁性的影响.对自由面有显著取向的薄带，进行酸蚀和打磨减薄处理，去除贴辊面未取向的部分，剩余部分为具有Pr₂Fe₁₄B相晶粒取向的各向异性薄带，Pr₂Fe₁₄B相取向使薄带的剩磁得到增强，矫顽力也有所提高. 关键词： 快淬 2Fe₁₄B/α-Fe永磁薄带')" href="#">纳米晶复合Pr₂Fe₁₄B/α-Fe永磁薄带 织构 磁性能     

新型金属间化合物Sm(TiFe)12的结构与磁性

SmTiFe_x(x的数值为8—11)可形成稳定的金属间化合物,经测定,晶体结构属于ThMn₁₂型四方结构,空间群为14/mmm,本文着重分析了Sm(TiFe)₁₂和Gd(TiFe)₁₂的结构和磁性。Sm(TiFe)₁₂具有很强的单轴磁晶各向异性,易磁化方向为c轴,居里温度610K。通过对Gd(TiFe)₁₂磁性的研究,进一步分析了在Sm(TiFe)₁₂中Sm和Fe次晶格的各向异性,实验结果表明,Sm和Fe次晶格都具有单轴磁晶各向异性,易磁化方向皆沿c轴。这是继Nd₂Fe₁₄B型永磁体以后发现的又一种具有单轴磁晶各向异性的三元稀土-铁金属间化合物。 关键词：     

Magnetic anisotropy of Sm2Fe14B single crystal

Magnetization measurements have been made on a Sm₂Fe₁₄B single crystal in magnetic fields up to 140 kOe. The easy direction of the magnetization lies along [100] in the tetragonal structure P4₂/mnm. Magnetic anisotropy energies at 290K along [110] and [001] have been estimated to be 5.8×10⁶ and 1.1×10⁸ erg/cm³, respectively, both becoming much larger at lower temperature. No evidence of the spin canting of Nd₂Fe₁₄B type is observed even at 4.2K.     

R2(Fe1-xAlx)14B的内禀磁性和永磁性能(R=Nd和Y)

本文研究了Al在R₂(Fe_1-xAl_x)₁₄B多元合金中的固溶度(R=Nd和Y),当x<0.1时,可形成四方结构。研究了在此类合金中,饱和磁化强度、居里温度、磁晶各向异性等内禀磁性,以及矫顽力和磁能积等永磁性能随Al含量的变化。发现以Al代换Fe时,使铁次点阵的磁晶各向异性出现极值;同时以Al代换Fe时,可使磁体的矫顽力显著提高。以Co和Al同时对Fe进行代换,制造成分约为Nd_16.5B _关键词：     

3d-4f magnetic interactions and crystalline electric field in the R2Fe14B compounds : Magnetization measurements and Mössbauer study of Gd2Fe14B

Magnetization measurements on Gd₂Fe₁₄B single crystals show that the Fe anisotropy favors the c-axis of the tetragonal structure, as in Y₂Fe₁₄B. The exchange interactions between Gd and Fe spins are deduced from the temperature dependence of the Gd magnetization. A Mössbauer study with¹⁵⁵Gd shows the main axis of the electric field gradient to have different directions at the two rare-earth sites. Scaling the values obtained in Gd₂Fe₁₄ B yields values of exchange interactions between Nd and Fe spins (～ 400 K) and of 2^nd order crystal-field parameters acting on Nd ions (～ 300 K) in isomorphous Nd₂Fe₁₄B.     

Spin reorientation and magnetization anomaly in Er2Fe14B and Tm2Fe14B

Static magnetic measurements have been carried out on single crystals of Er₂Fe₁₄B and Tm₂Fe₁₄B in a temperature range between 77 and 590 K. Spin reorientation phenomena have been found in both compounds slightly above room temperature. In Er₂Fe₁₄B, the easy direction of magnetization changes from [100] to [001] at 316 K as temperature increases, and Tm₂Fe₁₄B from [100] to [001] at 310 K. Anomalously large anisotropy in the saturation magnetization has been detected around the spin reorientation temperature.     

Magnetic properties of Y2Fe14B and Nd2Fe14B single crystals

Y₂Fe₁₄B and Nd₂Fe₁₄B are ferromagnets in which 3d interactions are dominant. In Y₂Fe₁₄B, the

-axis of the quadraticque est de magnetization. The 3d anisotropy is an order of magnitude weaker than in YCo₅. In agreement with point-charge model, CEF potential in Nd₂Fe₁₄B favours the

-axis at 300 K. At low temperature, the magnetization reorientation observed results from competition between exchange and anisotropy.     

Magnetic properties of ternary rare-earth compounds of the type R2Fe14B

Ternary tetragonal compounds of the composition R₂Fe₁₄B were observed for R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, and Lu. The lattice constants and the X-ray density of these compounds were determined. Also determined were the magnetic properties, comprising the temperature dependence of the magnetization in the range 4.2–700 K and the field dependence of the magnetization at 4.2 K in fields up to 20 T. These latter measurements were made in two mutually perpendicular directions, making it possible to determine the anisotropy fields. The magnetocrystalline anisotropy was found to consist of contributions due to the Fe and rare-earth sublattice, respectively.     

Magnetization and torque measurements on Nd2Fe14B single crystals

Magnetization and torque measurements on single crystal specimens of Nd₂Fe₁₄B have been carried out. The magnetization values measured always in the direction of easy magnetization and those in the [001] direction have been precisely determined at temperatures from 4.2K to 600K with a superconducting magnet up to 52.65 kOe. Below the spin reorientation temperature 135K, the magnetization value of the direction of easy magnetization increases anomalously with decreasing temperature. The direction of easy magnetization tilts from the [001] axis to the [110] axis and this tilt angle has been also precisely determined by torque measurement in the temperature range below the spin reorientation temperature. The four-fold symmetry in torque curve for the (001) plane is continously observed at even up to near room temperature and the [110] direction of easy magnetization and the [100] direction of hard magnetization do not change below and above the spin reorientation temperature.     

Nd2(Fe1-xMnx)14B的低温内禀矫顽力

当x<0.5时,Nd₂(Fe_1-xMn_x)₁₄B可形成四方晶体结构,空间群为P4₂/mnm。在低温下,该赝三元化合物的大块铸态样品具有高矫顽力。此矫顽力不依赖于热处理等工艺过程,因此具有内禀性质。内禀矫顽力 _iH_c与样品的成分有关。Nd₂(Fe_1-xMn_x)₁₄B的起始磁化曲线具有传播场H_p,并且H_p的数值与 _iH_c接近。这表明内禀矫顽力是由畴壁钉扎造成的。研究了 _iH_c与温度的变化关系,并估算了钉扎位垒的强度。测量了Nd₂(Fe_1-xMn_x)₁₄B的居里温度和饱和磁化强度。在此赝三元化合物中,交换作用随Mn对Fe的替换而急剧降低。这使得畴壁厚度变窄。Nd₂(Fe_1-xMn_x)₁₄B的磁化和反磁化行为可用窄畴壁的特征来解释。 关键词：