Structural and magnetic phase formation in nanophase brass—iron electron compounds

Starting with Cu0.65Zn0.35 with an e/a ratio of 1.35 we studied the phase formation in nanophase (Cu_0.65Zn_0.35)_1?x Fe _x alloys in the concentration range 0.1 ≤x ≤0.7 to see the effect of altering the electron concentration. The evolution of bcc phase from the fcc phase as a function of Fe concentration was investigated by Mössbauer spectroscopy and X-ray diffraction. The grain size, lattice parameters, and average hyperfine magnetic field distributions were estimated for the nanophase alloys. The fcc phase was observed to persist up to 40 atomic per cent Fe substitutions, a mixed (fcc + bcc) phase region up to 70 atomic per cent Fe and bcc phase beyond 70 atomic per cent Fe. The magnetic state of the alloys changed from nonmagnetic forx ≤0.3 to magnetically ordered state at room temperature forx ≤0.33, which lies in the fcc phase region. The fcc phase alloys of Fe with non-magnetic metals have very low magnetic transition temperatures. However, in this system the room temperature state is unusually magnetic     

Magnetoelectric effect and toroidal ordering in Ga2−x FexO3

The field dependence of the magnetoelectric effect and longitudinal magnetostriction of Ga_2−x Fe_xO₃ single crystals is studied in magnetic fields up to 200 kOe in the temperature range from 4.2 to 300 K. It is shown that the magnetoelectric effect in these materials is determined mainly by the toroidal moment T and is not related to magnetostriction, as was previously theorized. A new method for determining the toroidal moment by measuring the electric polarization in a strong magnetic field is proposed. The value of the toroidal moment of the unit cell in Ga_1.15Fe_0.85O₃ is calculated: T=(T _a ,0,0), where T _a =24.155μ _B Å per unit cell. Experimental data are analyzed using a theory of toroidal spin ordering, which gives good agreement with experiment. Zh. éksp. Teor. Fiz. 114, 263–272 (July 1998) Deceased.     

On the magnetic properties of Y(FexCo1-x)2 compounds

The composition dependence of the mean magnetic moment of cobalt atoms in Y(Fe_xCo_1-x)₂ compounds is analysed in the local environment model. Cobalt has a magnetic moment of 1.56 μ_B if there are at least two Fe atoms as nearest neighbours. The maximum in the composition dependence of the transition metal moments is due to the magnetic contributions of iron atoms only. The thermal variation of reciprocal susceptibility obeys a Curie-Weiss behaviour, in addition to the Pauli paramagnetic term. Finally, the influence of the variable magnetic interactions on the transition metal moments is discussed.     

Magnetic phase transitions and magnetocaloric effect in the Fe-doped MnNiGe alloys

The magnetic phase transition and magnetocaloric effects in Fe-doped MnNiGe alloys are investigated. The substitution of Fe for Ni decreases the structural transition temperature remarkably, resulting in the magnetostructural transition occurring between antiferromagnetic and ferromagnetic states in MnNi_{1 - x}Fe_xGe alloy. Owing to the enhanced ferromagnetic coupling induced by the substitution of Fe, metamagnetic behaviour is also observed in TiNiSi-type phase of MnNi_{1 - x}Fe_xGe alloys at temperature below the structural transition temperature.     

First-principles study of structural, electronic and magnetic properties in Cd1−xFexS diluted magnetic semiconductors

In this paper, we report theoretical investigations of structural, electronic and magnetic properties of ordered dilute ferromagnetic semiconductors Cd_1−xFe_xS with x=0.25, 0.5 and 0.75 in zinc blende (B3) phase using all-electron full-potential linear muffin tin orbital (FP-LMTO) calculations within the density functional theory and the generalized gradient approximation. The analysis of band structures, density of states, total energy, exchange interactions and magnetic moments reveals that both the alloys may exhibit a half-metallic ferromagnetism character. The value of calculated magnetic moment per Fe impurity atom is found to be 4 μ_B. Moreover, we found that p-d hybridization reduces the local magnetic moment of Fe from its free space charge value of 4 μ_B and produces small local magnetic moments on Cd and S sites.     

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.     

Structure and magnetostriction of RFex (1.6 x 2.0) and R(Fe1−yTiy)1.8 (y 0.2) alloys (R=Dy0.65Tb0.25Pr0.1)

Structure, Curie temperature and magnetostriction of RFe_x (1.6 x 2.0) and R(Fe_1−yTi_y)_1.8 (y 0.2) alloys (R=Dy_0.65Tb_0.25Pr_0.1) have been investigated using optical microscopy, X-ray diffraction, AC initial susceptibility and standard strain gauge techniques. The homogenized RFe_x alloys are found to be essentially single phase in the range of 1.8 x 1.85. The second phase is a rare-earth-rich phase when x 1.8, and (Dy, Tb, Pr)Fe₃ phase when x 1.85. X-ray diffraction indicates that the R(Fe_1−yTi_y)_1.8 alloys contain a small amount of Fe₂Ti phase when y 0.05, which increases with the increment of Ti content. The Curie temperature of R(Fe₁−_yTi_y)_1.8 alloys slightly enhances with increasing Ti concentration when y 0.05, then remains almost unchanged in the range of 0.05 y 0.20. The magnetostriction of RFe_x alloys is improved when x 1.80 and reduced by increasing Fe content when x 1.85. The magnetostriction of R(Fe_1−yTi_y)_1.8 alloys is lowered by increasing Ti content.     

First-principle study of the structural, electronic, and magnetic properties of amorphous Fe-B alloys

The structural, electronic, and magnetic properties of amorphous Fe_100−xB_x alloys (x=9, 17, 25, 27.3, 33.3, 36.3) are investigated using first-principles calculations. In these amorphous alloys, the short-range order is manifested as a series of Fe- or B-centered polyhedra such as tricapped trigonal prism, icosahedron, and bcc-like structural unit. The electron densities of states of the amorphous alloys resemble those of crystalline Fe borides, which further confirm the similarity of the local order in the amorphous and crystalline phases. All B atoms carry small negative moments of about −0.1μ_B, while small negative moments are also found on very few Fe sites for the Fe-rich compositions (x=9, 17). The average magnetic moment per Fe atom decreases nonlinearly with increasing B composition, which can be associated with the nonlinear relationship between mass density and composition.     

Structure and magnetostriction of RFex (1.6 ? x ? 2.0) and R(Fe1−yTiy)1.8 (y ? 0.2) alloys (RDy0.65Tb0.25Pr0.1)

Structure, Curie temperature and magnetostriction of RFe_x (1.6 ? x ? 2.0) and R(Fe_1−yTi_y)_1.8 (y ? 0.2) alloys (RDy_0.65Tb_0.25Pr_0.1) have been investigated using optical microscopy, X-ray diffraction, AC initial susceptibility and standard strain gauge techniques. The homogenized RFe_x alloys are found to be essentially single phase in the range of 1.8 ? x ? 1.85. The second phase is a rare-earth-rich phase when x ? 1.8, and (Dy, Tb, Pr)Fe₃ phase when x ? 1.85. X-ray diffraction indicates that the R(Fe_1−yTi_y)_1.8 alloys contain a small amount of Fe₂Ti phase when y ? 0.05, which increases with the increment of Ti content. The Curie temperature of R(Fe₁−_yTi_y)_1.8 alloys slightly enhances with increasing Ti concentration when y ? 0.05, then remains almost unchanged in the range of 0.05 ? y ? 0.20. The magnetostriction of RFe_x alloys is improved when x ? 1.80 and reduced by increasing Fe content when x ? 1.85. The magnetostriction of R(Fe_1−yTi_y)_1.8 alloys is lowered by increasing Ti content.     

Short range order transformation and magnetostriction of Fe83Ga17 ribbons

The relationship between magnetostriction and structure of melt-spun Fe 83 Ga 17 ribbons are investigated by XRD and M¨ossbauer spectrum technique(MS).As the heat-treatment temperature increases from 650℃ to 800℃,the magnetostriction coefficient of Fe 83 Ga 17 ribbon first increases and then decreases.The largest magnetostriction coefficient(578.4 ppm) is achieved in those specimens quenched at 750℃.According to the XRD and Mo¨ssbauer spectrum analysis,a small quantity of DO 3 phase is precipitated in Fe 83 Ga 17 ribbons when quenched from 650℃ and the DO 3 phase is gradually transformed into B2-like phase if quenched at higher temperature.However,both DO 3 and B2-like phases disappear when the temperature increases up to 800℃.From this point of view,B2-like phase might be beneficial to the enhancement of magnetostrictive properties of melt-spun ribbons.     

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：     

Structure, spin reorientation and M?ssbauer effect studies of Tb0.3Dy0.7(Fe1?xAlx)1.95 alloys

The effect of Al substitution for Fe on crystal structure, magnetostriction and spontaneous magnetostriction, anisotropy and spin reorientation of a series of polycrystalline Tb_0.3Dy_0.7(Fe_1−x Al_x)_1.95 alloys (x = 0, 0.05, 0.1, 0.15, 0.20, 0.25, 0.30, 0.35) at room temperature and 77 K was investigated systematically. It was found that the primary phase of Tb_0.3Dy_0.7(Fe_1−x Al_x)_1.95 is the MgCu₂-type cubic Laves phase structure when x < 0.4 and the lattice constant a of Tb_0.3Dy_0.7(Fe_1−x Al_x)_1.95 increases approximately and monotonically with the increase of x. The substitution of Al leads to the fact that the magnetostriction λ inceases slightly in a low magnetic field (H ⩽ 40 kA/m), but decreases sharply and is easily close to saturation in a high applied field as x increases, showing that a small amount of Al substitution is beneficial to a decrease in the magnetocrystalline anisotropy. It was also found that the spontaneous magnetostriction λ ₁₁₁ decreases greatly with x increasing. The analysis of the M?ssbauer spectra indicated that the easy magnetization direction in the {110} plane deviates slightly from the main axis of symmetry with the changes of composition and temperature, namely spin reorientation. A small amount of non-magnetic phase exists for x = 0.15 in Tb_0.3Dy_0.7(Fe_1−x Al_x)_1.95 alloys and the alloys become paramagnetic for x > 0.15 at room temperature, but at 77 K the alloys still remain magnetic phase even for x = 0.2. At room temperature and 77 K, the hyperfine field decreases and the isomer shifts increase with Al concentration increasing.     

A DFT study of the electronic and magnetic properties of Fe2MnSi1−xGex alloys

We performed density functional theory (DFT) calculations to study the structural, electronic and magnetic properties of Fe₂MnSi_1−xGe_x alloys (x=0, 0.25, 0.50, 0.75, and 1.00). The lattice constant is found to increase linearly as a function of Ge concentration with a decrease in the formation energy. The total magnetic moment is found to be 3 μ_B for all alloys with the most contribution from Mn local magnetic moments. Iron atoms, however, exhibit much smaller spin moments about 10% of the bulk value. It seems that due to the proximity of Fe, magnetic moments have been induced on the sp atoms, which couple antiferromagnetically with Fe and Mn spin moments. Although, the band gap remains almost constant (0.5 eV), the spin–flip gap decreases as a function of x.     

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：     

Microstructure, magnetic and optical properties of sputtered polycrystalline ZnO films with Fe addition

Microstructure, magnetic and optical properties of polycrystalline Fe-doped ZnO films fabricated by cosputtering with different Fe atomic fractions (x_Fe) have been examined systematically. Fe addition could affect the growth of ZnO grains and surface morphology of the films. As x_Fe is larger than 7.0%, ZnFe₂O₄ grains appear in the films. All the films are ferromagnetic. The ferromagnetism comes from the ferromagnetic interaction activated by defects between the Fe ions that replace Zn ions. The average moment per Fe ion reaches a maximum value of 1.61 μ_B at x_Fe = 4.8%. With further increase in x_Fe, the average moment per Fe ion decreases because the antiferromagnetic energy is lower than the ferromagnetic one due to the reduced distance between the adjacent Fe ions. The optical band gap value decreases from 3.245 to 3.010 eV as x_Fe increases from 0% to 10%. Photoluminescence spectra analyses indicate that many defects that affect the optical and magnetic properties exist in the films.     

Role of Ga-doping in ironben gallium alloy clusters

The structural and magnetic properties of Fe_n-mGa_m (n=3～6, m=0～2; n=13, m=0～3) alloy clusters have been studied using density functional theory. The substitutional doping is favourable for small clusters with up to six atoms at low Ga concentration and substitutional Ga atoms in 13-atom clusters prefer surface sites. The Ga-doping generally could reduce the energetic stability but enhance the electronic stability of Fe clusters, along with a decrease of the local magnetic moments of Fe atoms around Ga dopants. These findings provide a microscopic insight into Fe-Ga alloys which are well-known magnetostriction materials.     

Ab initio calculations of the stability and structural defects of the <Emphasis Type="Italic">B</Emphasis>2 Cu<Subscript>x</Subscript>Fe<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Al phases

The stability of the B2 Cu_xFe_1?x Al phases and the energy of defect formation are studied using ab initio band calculations. For B2 Cu_xFe_1?x Al alloys, vacancies in the 3d-metal sublattice and configurations with the minimum number of Fe-Cu bonds in the first coordination shell (including Fe antisite defects, which have a high local magnetic moment) are most stable. Complicated defect complexes with vacancies and displaced atoms, which are close to the atomic configurations of vacancy-ordered AlCu phases, can exist near the composition Cu_0.875Fe_0.125Al.     

非晶态(Fe1-xCox)77.5Nd4B18.5合金的电阻率的压力系数和压力弛豫研究

在０．０００１－２．４ＧＰａ流体静压力范围详细研究了非晶(Fe_1-xCo_x)_77.5Nd₄B_18.5（０≤ｘ≤１．０）合金的电阻率与压力的关系，得到该非晶合金电阻率的压力系数随组分ｘ变化的规律。结果表明：用少量的钴（ｘ＝０．２）替代铁，不会影响其硬磁性和热稳定性，同时却可减小电阻率的压力系数，从而增强电磁性能在压力下的稳定性。此外还观测到在０．５１ＧＰａ保压３－２４h的结构弛豫，进一步求出该非晶台金电阻率的压力弛豫时间对组分ｘ的依赖关系。 关键词：     

A structural, magnetostrictive and M?ssbauer study of Tb0.3Dy0.7(Fe0.9 T 0.1)1.95 alloys

The effect of IIIA metal and transition metalT substitution for Fe on crystal structure, magnetostriction and spontaneous magnetostriction, anisotropy and spin reorientation of a series of polycrystalline Tb_0.3 Dy_0.7 (Fe_0.9 T _0.1)_1.95 (T=Mn, Fe, Co, B, Al, Ga) alloys at room temperature were investigated systematically. It was found that the primary phase of the Tb_0.3 Dy_0.7 (Fe_0.9 T _0.1)_1.95 alloys is the MgCu₂-type cubic Laves phase structure for different substitution. The magnetostriction λ{ins} decrases greatly for the substitution of IIIA metal, B, Al and Ga, but is saturated more easily for Al and Ga substitution, showing that the Al and Ga substitution is beneficial to a decrease in the magnetocrystalline anisotropy of Tb_0.3 Dy_0.7 (Fe_0.9 T _0.1)_1.95 alloys. However, the substitution of transition metal Mn and Co decreases slightly the magnetostriction λ{ins}. It was also found that the effect of different substitutions on the spontaneous magnetostriction λ{in111} is distinct. The analysis of the M?ssbauer spectra indicates that the easy magnetization direction in the {110} plane deviates slightly from the main axis of symmetry for Al and Ga substitution, namely spin reorientation, but it does not change evidently for B, Mn and Co substitution.     

Electronic structure and magnetism of disordered bcc Fe alloys

We study the electronic structure and magnetic properties of disordered bcc Co_xFe_1-x, Cr_xFe_1-x and Mn_xFe_1-x alloys in their ferromagnetic phases using the Augmented Space Recursion (ASR) technique coupled with the tight-binding linearized muffin tin orbital (TB-LMTO) method. We calculate the density of states and magnetic moment of these alloys to show the variation upon alloying Fe with the other neighbouring 3d transition metals using arguments based on charge transfer, exchange splitting and hybridization effects. Received 10 April 2001 and Received in final form 15 August 2001