原子簇La8-xBaxCuO6的原子磁矩和自旋极化的电子结构研究

利用MS-Xα方法研究了化合物La_2-yBa_yCuO₄的原子磁矩和自旋极化的电子结构.理论计算得到母相氧化物La₂CuO₄的Cu原子磁矩为0.37μ_B，与实验值0.48±0.15μ_B基本一致. 研究结果显示, 由于Ba原子对部分La的替代，使构成化合物的基本原子簇La_8-xBa_xCuO₆的 关键词： 电子结构 自旋极化 磁矩 态密度 超导电性     

非晶态(Fe1-xVx)84B16合金的磁性和电性

用单辊急冷法制备了非晶态(Fe_1-xV_x)₈₄B₁₆(x=0,0.02,0.04,0.06,0.10)合金的薄带,分别用磁天平和四端引线法测量了饱和磁化强度和高温电阻率的温度关系。得到平均每个磁性原子的磁矩随V含量的增加近似线性下降,计算出每个Fe原子和每个V原子的平均磁矩分别为2.08μ_B和-5.08μ_B。居里温度T_c从x=0时的622K下降到x=0.10时的478K。利用自旋波激发公式:σ(T)=σ(0)(1-BT^* 关键词：     

SrRuO3的电子结构与磁性研究

用自洽的全势能线性丸盒轨道能带方法计算了氧化物体系SrRuO₃(SRO)的电子结构和磁性.对于理想的立方钙钛矿结构的计算得出的电子结构明显改善了已有的计算结果:每个元胞的磁矩为129μ_B,按原子球划分为084μ_B/Ru原子和011μ_B/O原子;Sr原子上的自旋磁矩几乎为零;费米能级处的态密度N(E_F)为435(states/Ryd/f.u.).关于实际的正交结构SRO,计算得出磁矩为108μ关键词： 过渡金属氧化物 电子结构 磁性     

NdNi2Ge2化合物的结构和电磁输运性质

利用非自耗真空电弧熔炼法制备了NdNi₂Ge₂化合物样品,采用X射线粉末衍射技术和Rietveld全谱拟合分析方法测定了其晶体结构. 结果显示该化合物的空间群为I4/mmm,点阵参数为:a=4.120(1),c=9.835(0),Z=2,Nd原子占据2a晶位,Ni原子占据4d晶位,Ge原子占据4e晶位. NdNi₂Ge₂化合物呈现顺磁性,应用居里-外斯定律拟合计算得到居里-外斯常数为25.8,居里-外斯温度为6.24 K. 有效势磁矩为3.69μ_B,这与理论计算Nd³⁺的磁矩相符,表明磁矩主要源于Nd³⁺. 电阻率变化范围为0.3 Ω ·μm^-1-1 Ω ·μm,电阻曲线拟合显示NdNi₂Ge₂呈半金属性. 关键词： 2Ge₂')" href="#">NdNi₂Ge₂ Rietveld结构精修 电磁输运     

亚铁磁Heusler合金Mn2CoGa和Mn2CoAl掺杂Cr,Fe和Co的局域铁磁结构

通过实验和计算的方法研究了Mn₂CoM_xGa_1-x 和Mn₂CoM_xAl_1-x (M=Cr, Fe, Co)掺杂系列合金样品. 研究发现, 在共价作用的影响下, Fe和Co原子占A位, 使被取代的MnA (-2.1 μ_B)变成MnD (3.2 μ_B), 在最近邻的强交换作用下亚铁磁基体中形成了MnB-CoC-MnD局域铁磁性结构, 使分子磁矩的增量最高可达6.18 μ_B. Fe, Co 掺杂后建立同样的局域铁磁结构, 居里温度的变化趋势却不同. 实验观察到Mn₂Co_1+xAl_1-x中掺杂容忍度高达x=0.64, 远高于在Mn₂CoGa中(x=0.36)的结果; 以及随着Al的减少, 合金由B2有序向A2混乱转变等现象, 为共价作用对合金结构稳定的影响提供了证据. 磁测量中发现Cr掺杂后磁矩增量高达3.65 μ_B以及居里温度快速上升的反常现象, 意味着对占位规则的违背.     

Ru13原子簇基态的磁性

采用离散变分局域自旋密度泛函方法，研究了三种可能的高对称几何构型的由１３个钌原子组成的Ru₁₃原子簇的电子结构．结果表明，所有具有不同对称性的Ru₁₃原子簇在它们各自的平衡位置处都有两重磁性解，从能量上看，每一种构型的低自旋解都比高自旋解更为稳定．基态原子簇为Ｉ_hRu₁₃原子簇，具有４μ_B的磁矩，或每个原子具有０.３１μ_B的磁矩．这与实验测得的Ru₁₃原 关键词：     

Au-Ni弱铁磁合金的自发磁矩和居里点

x=0.42—0.55的Au_1-xNi_x晶态合金是从液态直接淬火到室温,测量低温下这些合金的磁化曲线(2—70kOe),得到在温度1.5K下的自发磁矩值,并用Arrott-Noakes图线方法确定居里点。首先用Perrier等人提出的最近邻模型计算平均磁矩,和实验结果进行了比较。并提出最及次近邻模型,即考虑到次近邻的影响,假设一个Ni原子的最、次近邻18个原子有11个以上是Ni原子,它就具有和纯Ni一样的磁矩(0.606μ_B),否则磁矩为零,由此模型计算的平均磁矩值和实验结果比较符合。本文还对合金中自旋集团(spincluster)的存在和自旅集团之间的相互作用作了讨论,给出了表示自旋集团之间铁磁相互作用的平均内场μ_BH/k_B的值。 关键词：     

赝二元化合物Dy(Fe0.9M0.1)2(M=B,Al,Ga)的磁性研究

研究了赝二元化合物Dy(Fe_0.9M_0.1)₂(M=B,Al,Ga)的磁性。M对Fe的置换,使居里温度下降,Fe原子的磁矩改变。矫顽力随温度的降低,增加很快,增加的幅度与M有关。磁化强度的温度关系,在磁场小于临界值时,出现反常和热磁效应。用Fe原子局域环境的变迁和低温下内禀磁硬度的急剧增加,解释了上述现象。 关键词：     

x射线磁性圆二色吸收谱分析Co膜厚度对原子磁矩和自旋磁矩的影响

利用软x射线磁性圆二色吸收谱(XMCD)研究了Si衬底上沉积的不同厚度的Co膜的轨道磁矩和 自旋磁矩.样品是磁控溅射方法制备的，膜的厚度分别是2nm,10nm和30nm，并在表面覆盖0.8 —1nm厚的金膜防止样品的氧化.根据XMCD求和定则计算得到的轨道磁矩和自旋磁矩分别是0. 249—0.195μ_B(玻尔磁子)和1.230—1.734μ_B.随着膜厚的减小，C o原子的轨道磁矩增加，而自旋磁矩下降.轨道磁矩与总磁矩的比值由0.101上升至0.168，即 2nm膜中Co原子的轨道磁矩对总磁矩的贡献比30nm膜中Co原子的大了83%. 关键词： x射线磁性圆二色 磁性薄膜 轨道磁矩和自旋磁矩 厚度效应     

非晶态合金FeTmB的磁矩和居里温度

本文系统地报道单辊液淬方法制备FeTmB(Tm=Ti,V,Cr,Mn,Zr,Nb,Mo,Ta,W)非晶态合金的磁性,讨论了3d,4d,5d元素的加入对非晶态FeB合金的磁矩和居里温度的影响。实验结果表明在非晶态FeTmB合金系中Fe原子磁矩都在2.0μ_B左右。Tm原子在非晶态Fe基合金中比在相应的晶态合金中显示更强的局域特性。Tm原子的磁矩与元素的外层电子数有关,IVB(Ti),VB(V),VIB(Cr),VIIB(Mn)族原子的磁矩分别约为4,5,4,3μ_B,Tm的磁矩与铁原子磁矩反平行耦合。合金磁矩随Tm含量的变化率dμ/dx与混合模型的计算值相符合。用虚拟束缚态讨论,得到IVB(Ti),VB(V)族元素的虚拟束缚态在费密面以上,VIB(Cr),VIIB(Mn)族元素的虚拟束缚态与费密面交迭。 关键词：     

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：     

Effect of thermal treatment on the magnetization processes of nanocrystalline Fe80Ge3Nb10B7 alloys

The dynamic magnetization processes of nanocrystalline Fe₈₀Ge₃Nb₁₀B₇ alloys after annealing at different temperatures are studied through the permeability spectroscopy. Three steps of crystallization are found when amorphous Fe₈₀Ge₃Nb₁₀B₇ alloys are heated from 300to 1200 K. The dominant magnetization process varies with different annealing temperatures. Domain wall bulging is the main magnetization mechanism under weak applied field. When the applied field exceeds pinning field H_p, the depinning-involved domain wall displacement occurs. Different annealing temperature results in different H_p. The lower value of μ′ and high relaxation frequency after heating at 923 and 973 K are due to the strengthened domain wall pinning and the increase of magnetocrystalline anisotropy.     

Magnetization reversal mechanism of anisotropic HDDR Nd2Fe14B-based magnet powder

The coercivity mechanism of anisotropic Nd₂Fe₁₄B-based magnetic powders prepared by hydrogenation–decomposition–esorption–recombination process was studied. Polarization and corresponding differential susceptibility curves of the powders in its thermally demagnetized state were measured. Microstructure and constituents of the powders were investigated by means of transmission electron microscope and scanning electron microscope with energy dispersive X-ray detector. In addition, theoretical calculation of the intrinsic coercive force of the magnetic powders was performed. It is concluded that the magnetic hardening mechanism of the powders is the pinning of domain walls at grain boundaries of the Nd₂Fe₁₄B main phase and Nd-rich phase that distributes homogeneously around some conglomerations composed of fine Nd₂Fe₁₄B grains. The coercive force of the powders is mainly determined by the pinning of domain walls by Nd-rich boundary phase.     

Thermomagnetic transitions and coercivity mechanism in bulk composite Nd60Fe30Al10 alloys

The thermomagnetic behaviour (within the temperature range 553-300 K) for the bulk composite Nd₆₀Fe₃₀Al₁₀ alloy is described in terms of a transition from paramagnetic to superferromagnetic state at T=553 K, followed by a ferromagnetic ordering for T<473 K. For the superferromagnetic regime, the alloy thermomagnetic response was associated to a homogeneous distribution of magnetic clusters with mean magnetic moment and size of 1072 μ_B and 2.5 nm, respectively. For T<473 K, a pinning model of domain walls described properly the alloy coercivity dependence with temperature, from which the domain wall width and the magnetic anisotropy constant were estimated as being of ≈8 nm and ≈10⁵ J/m³, typical values of hard magnetic phases. Results are supported by microstructural and magnetic domain observations.     

Theory of localized magnetic moments in metals I finite cluster approach

The origin of localized magnetic moments formation in metals is investigated theoretically using a self-consistent local spin density molecular cluster approach. Clusters with up to 55 atoms are employed to describe isolated impurity local moment behavior in the cases of Fe$\text{Ag}$ and Fe$\text{Pd}$. Densities of states and spin magnetic moments were determined and compared with results of spectroscopic (notably photoemission) and magnetization measurements, respectively. In the case of a noble metal host, the spin magnetization density is found to be highly localized around the Fe site; the iron moment is ≈ 3.9μ_B and the polarization of the host Ag atoms is small. In the case of a transition metal host, the iron moment is ≈ 3.2 μ_B but here the strong hybridization of the Fe-3d and Pd-4d states results in a large induced magnetic moment in the host PD metal — in essential agreement with experiment for this giant moment system.     

The effect of internal stresses on the magnetization curve of amorphous ferromagnetic FeNi alloys

The Rayleigh region, the coercive field and the magnetization curves of the amorphous, ferromagnetic alloys Fe_80−xNi_xB₂₀ and Fe₄₀Ni₄₀P₁₄B₆ have been investigated as a function of the temperature and composition. It is shown that the characteristic parameters of the magnetization curves can be described by the statistical potential theory as developed previously for the movement of domain walls. Our experimental results are compatible with the assumption that the obstacles opposing the domain wall displacements are elastic stress centres produced during the rapid quenching process of the amorphous alloys.     

Neutron diffraction study on composite compound Nd2Co7

The crystallographic and the magnetic structures of the composite compound Nd₂Co₇ at 300 K are investigated by a combined refinement of X-ray diffraction data and high-resolution neutron diffraction data. The compound crystallizes into a hexagonal Ce₂Ni₇-type structure and consists of alternately stacking MgZn₂-type NdCo₂ and CaCu₅-type NdCo₅ structural blocks along the c axis. A magnetic structure model with the moments of all atoms aligning along the c axis provides a satisfactory fitting to the neutron diffraction data and coincides with the easy magnetization direction revealed by the X-ray diffraction experiments on magnetically pre-aligned fine particles. The refinement results show that the derived atomic moments of the Co atoms vary in a range of 0.7 μ_B-1.1 μ_B and the atomic moment of Nd in the NdCo₅ slab is close to the theoretical moment of a free trivalent Nd³⁺ ion, whereas the atomic moment of Nd in the NdCo₂ slab is much smaller than the theoretical value for a free Nd³⁺ ion. The remarkable difference in the atomic moment of Nd atoms between different structural slabs at room temperature is explained in terms of the magnetic characteristics of the NdCo₂ and NdCo₅ compounds and the local chemical environments of the Nd atoms in different structural slabs of the Nd₂Co₇ compound.     

Magnetic state and properties of the Fe0.5TiSe2 intercalation compound

The Fe_0.5TiSe₂ compound with a monoclinic crystal structure has been prepared by intercalation of Fe atoms between Se-Ti-Se sandwiches in the layered structure of TiSe₂. The crystal and magnetic structures, electrical resistivity, and magnetization of the Fe_0.5TiSe₂ compound have been investigated. According to the neutron diffraction data, the Fe_0.5TiSe₂ compound has a tilted antiferromagnetic structure at temperatures below the Néel temperature of 135 K, in which the magnetic moments of Fe atoms are antiferromagnetically ordered inside layers and located at an angle of approximately 74.4° with respect to the layer plane. The magnetic moment of Fe atoms is equal to (2.98 ± 0.05)μ_B. The antiferromagnetic ordering is accompanied by anisotropic spontaneous magnetostrictive distortions of the crystal lattice, which is associated with the spin-orbit interaction and the effect of the crystal field.     

Magnetization processes in nanocrystalline ferromagnets

We have investigated the grain size dependence of the characteristic magnetic properties as the initial susceptibility, the coercivity and the Rayleigh constant of nanocrystalline Fe_73.5Cu₁Nb₃Si_13.5B₉. Before there is any significant change in the grain size all the magnetic properties change their values by several orders of magnitude due to a change of the magnetization process. At low annealing temperatures (small grains) we found irreversible domain wall movements which could be well described by the statistical potential theory. After higher annealing temperatures the magnetic properties changed drastically and the magnetization occurs by rotational processes. The strong decrease of the Rayleigh constant and the corresponding change in the magnetization process is attributed to increased pinning of domain walls due to the precipitation of crystalline Fe-B compounds.