Fe-Ga磁致伸缩合金自旋轨道耦合效应研究

磁致伸缩和磁晶各向异性来源于自旋轨道耦合及晶体场效应,两种效应作用效果将对Fe-Ga大磁致伸缩合金研究方向将起指导作用.通过基于均匀梯度近似的线形缀加平面波法研究了Fe-Ga磁致伸缩合金中D03、B2-like、L12结构在施加自旋轨道耦合效应前后Fe原子3d轨道劈裂情况,轨道电子数及磁晶各向异性.结果表明,自旋轨道耦合效应可以进一步劈裂D03及L12立方结构晶体场,D03和L12结构中Fe原子3d轨道电子数,尤其是dxy和d(x2-y2)轨道下自旋电子数由于自旋轨道耦合作用发生改变;但自旋轨道耦合对B2-like结构作用微弱.Fe-Ga磁致伸缩合金中磁晶各向异性主要由晶体场效应决定.     

Electronic structures and magnetocrystalline anisotropy energies of ordered Co1-xNix alloys: a first principles study

The electronic structures and magnetocrystalline anisotropy(MA) of ordered hexagonal close-packed(hcp) Co1-xNix alloys are studied using the full-potential linear-augmented-plane-wave(FLAPW) method with generalized gradient approximation(GGA).Great changes of magnetocrystalline anisotropy energy(MAE) are gained with different Ni compositions.Also,in-plane magnetocrystalline anisotropy is obtained for Co 15 Ni in which the Snoek’s limit is exceeded.It is found that the changes of the symmetry of the crystal field on Ni induce small variations in band structures around the Fermi level under different compositions,which plays an important role in modulating the magnetization direction,where the hybridization between Co-3d and Ni-3d orbits is of special importance in deciding the magnetocrystalline anisotropy of itinerant states.The rigid-band model is inapplicable to explain the evolution of magnetocrystalline anisotropy energy with Ni composition,and it is also inadequate to predict the magnetocrystalline anisotropy energy through the anisotropy of the orbital magnetic moment.     

First-principles study on magnetism of different dimensional Ru systems

The magnetism, the magnetocrystalline anisotropy and the optical properties of the monolayer and atomic chain of 4d transition-metal Ru are investigated by using the full-potential linearized-augmented-plane-wave method in a generalized gradient approximation. The magnetic moments are 1.039~μ __B/atom and 1.130~μ_B/atom for the monolayer and atomic chain, respectively. Both systems have large magnetocrystalline anisotropy energy (MAE). The magnetic easy axis is normal to the monolayer and perpendicular to the chain axis in the atomic chain. The optical properties of the two low-dimensional Ru systems are investigated by calculating the complex optical conductivity tensor. Both systems exhibit anisotropy in photoconductivity, especially for the atomic chain. The physical origins of MAE and photoconductivity are studied based on electronic structures. It is found that the changes in crystal field caused by different symmetry-breaking mechanisms in the two low-dimensional Ru systems result in MAE through spin--orbit coupling, while the anisotropy in photoconductivity mainly comes from the crystallographic anisotropy.     

Increase in the magnetostrictive susceptibility of Tb0.3Dy0.67Ho0.03Fe2−x Co x alloys upon substitution of cobalt for iron

This paper reports on the results of investigations into the concentration dependences of the magnetostrictive susceptibility, the magnetostriction, the magnetization, and the Curie temperature for Tb_0.3Dy_0.67Ho_0.03Fe_2?x Co _x alloys upon substitution of cobalt for iron. It is revealed that the temperature of the spin-reorientation transition shifts toward room temperature with an increase in the cobalt content in the range 0 ≤ x ≤ 1.3. Substitution of cobalt for iron in the alloys leads to a decrease in the contribution of the 3d transition metal sublattice to the magnetic anisotropy owing to the opposite signs of the single-ion anisotropy constants for iron and cobalt. The decrease observed in the magnetocrystalline anisotropy compensated in both rare-earth and 3d transition metal sublattices is responsible for the high magnetostrictive susceptibility of the studied compounds at a high cobalt content (x = 1.3) in the room-temperature range.     

Study of the magnetostrictive strains in Pr6Fe11Ga3 alloy

Magnetoelastic properties of the Pr₆Fe₁₁Ga₃ alloy are studied by magnetostriction and thermal expansion measurements. The effects of short- and long-range magnetic ordering processes about Curie temperature clearly appear in the temperature dependence of the spontaneous magnetostriction as two increasing steps with decreasing temperatures. Thermal variations of the total magnetocrystalline anisotropy introduce pronounce changes in the isofield curves of the forced magnetostriction as a negative minimum below 200 K, a compensation phenomena about 250 K, and a positive maximum between 250 K and T_c=320 K. The observed behavior of magnetostriction is discussed in terms of the competitive anisotropies of Pr and Fe sublattices and coupling magnetostrictive constants.     

YTi(Fe1-xNix)11的晶体结构和内禀磁性

当x<0.7时,YTi(Fe_1-xNi_x)₁₁可形成单相的ThMn₁₂型四方结构,空间群14/mmm。本文研究了以Ni原子代换Fe原子时,对饱和磁矩、磁晶各向异性和居里温度的影响。通过代换研究,并讨论了Fe原子和Ni原子在稀土化合物中所表现的两种不同的特性。稀土-铁(R-Fe)金属间化合物的磁性依赖于Fe-Fe近邻原子的间距和数目;而R-Ni金属间化合物的磁性取决于稀土金属传导电子对Ni的3d能带的影响。为进一步确证这 关键词：     

Ferroelectric control of the magnetocrystalline anisotropy of the Fe/BaTiO(3)(001) interface

Density-functional calculations are employed to investigate the effect of ferroelectric polarization of BaTiO(3) on the magnetocrystalline anisotropy of the Fe /BaTiO(3)(001) interface. It is found that the interface magnetocrystalline anisotropy energy changes from 1.33 to 1.02 erg cm (-2) when the ferroelectric polarization is reversed. This strong magnetoelectric coupling is explained in terms of the changing population of the Fe 3d orbitals at the Fe/BaTiO(3) interface driven by polarization reversal. Our results indicate that the electronically assisted magnetoelectric effects at the ferromagnetic/ferroelectric interfaces may be a viable alternative to the strain mediated coupling in related heterostructures and the electric field-induced effects on the interface magnetic anisotropy in ferromagnet/dielectric structures.     

Site dependent enhancement of magnetic anisotropy in 4d and 5d impurity doped α″-Fe16N2: A first principles study

Using the first principles method, we studied the electronic structure and magnetocrystalline anisotropy of site dependent 4d, 5d element doping in α″-Fe₁₆N₂. We found that different Fe sites contributed differently for magnetocrystalline anisotropy. For instance, on d-site doping, we obtained perpendicular magnetocrystalline anisotropy while the h-site doping resulted in an in-plane magnetocrystalline anisotropy in all the studied systems. The impurity doping induces local lattice distortions near the impurity site. However, the volume of the cell and total magnetic moment of the doped systems were not much affected. This local lattice distortion together with the spin-orbit coupling effect associated with heavy 4d, 5d element mainly contributed to enhancing the magnetocrystalline anisotropy. The enhancement of the magnetocrystalline anisotropy results in almost 15 to 67% enhancement of the coercivity for 4d element doping while we found 80 to 137% enhancement for 5d element doping. The maximum energy products were also enhanced compared to the pure α″-Fe₁₆N₂. The maximum enhancement was observed in Rh and Pt doped systems where the energy products were 119–120 MGOe. These results may suggest that substitutional doped α″-Fe₁₆N₂ system can be used as potential rare earth free permanent magnet.     

Magnetic domain structures of overquenched Nd–Fe–B permanent magnets studied by electron holography

Microstructures and magnetic domain structures of overquenched Nd–Fe–B permanent magnets have been investigated in detail by transmission electron microscopy. While magnetic domain boundaries are clarified by Lorentz microscopy, magnetization distribution in the domains is clearly observed by electron holography. In the as-quenched magnet, the size of the magnetic domains is in the range from 200 to 500 nm and the direction of the magnetic lines of force changes gradually in wide region, while in the annealed one having the crystalline phase of Nd₂Fe₁₄B, the direction of the magnetic lines of force changes drastically especially at the grain boundaries. Furthermore, the direction of the magnetic lines of force changes more drastically in the specimen annealed at 893 K than the specimen annealed at 843 K. This result clearly indicates that the magnetocrystalline anisotropy is enhanced with the increase of annealing temperature, resulting in strong domain wall pinning.     

Structural characterization and magnetoimpedance effect in amorphous and nanocrystalline AlGe-substituted FeSiBNbCu ribbons

Two series of rapidly solidified FINEMET (Fe_73.5Si_13.5B₉Nb₃Cu₁) alloys with and without partial substitution of Al (1.5 at%)/Ge (1 at%) were prepared by melt-spinning technique. The nanocrystallization process was carried out by the heat treatment of the as-spun ribbons at 560 °C for 1 h in a vacuum furnace. X-ray diffraction (XRD), transmission electron microscopy (TEM), differential scanning calorimeter (DSC), Mössbauer spectroscopy, and magnetoimpedance (MI) measurements were conducted on the as-quenched and heat-treated alloys to investigate their structural and magnetic properties. The average crystallite sizes obtained for the heat-treated samples were in the range of 10–12 nm as confirmed by our XRD and TEM data. The ultrasoft magnetic behavior observed for the Al/Ge-substituted nanocrystalline alloys was confirmed both by our magnetic data and magnetoimpedance ratio (MIR%) results. A twofold increase in the magnitude of the MIR% (99%) was observed for the Al/Ge-substituted nanocrystalline alloy against that of the pure FINEMET alloy (∼48%) measured at 5.5 MHz. This is believed to be related to the decrease of the magnetocrystalline anisotropy as well as magnetostriction decline due to the Al substitution for Fe atoms in this nanostructured alloy.     

Effect of doping MnO2 on magnetic properties for M-type barium ferrite

The crystalline structure and magnetic properties of M-type barium ferrite doped with small amounts of MnO₂ (0, 0.25, 0.5, 0.75, 1.0, 1.5, and 2.0 wt%, respectively) have been investigated by means of XRD, SEM and VSM. The results show that the crystalline structures of barium ferrite are still M-type hexagonal structure and Mn ions are distributed homogeneously in both the grains and the grain boundaries. The saturation magnetization and magnetocrystalline anisotropy constants both reach the highest values when x=0.75 wt%. The displacement of Fe ions from 4f₁ to 2b site is mainly responsible for the appearance of the maximum values.     

Effects of magnetic anisotropy and exchange in Tm2Fe17

Neutron diffraction experiments have been carried out to study the magnetocrystalline anisotropy of two (2b and 2d) Tm sublattices and four (4f, 6g, 12j, and 12k) Fe sublattices in ferrimagnetic compound Tm₂Fe₁₇ (space group P6₃/mmc). We have determined the temperature dependence of the magnitude and orientation of magnetization for each of the thulium and iron sublattices in the range (10?C300) K. A spontaneous rotation (at about 90 K) of the Tm and Fe sublattice magnetizations from the c-axis to the basal plane is accompanied by a drastic change in the magnetization magnitude, signifying a large magnetization anisotropy. Both Tm sublattices exhibit an easy-axis type of the magnetocrystalline anisotropy. The Fe sublattices manifest both the uniaxial and planar anisotropy types. The sublattice formed by Fe atoms at the 4f position reveals the largest planar anisotropy constant. The Fe atoms at the 12j position show a uniaxial anisotropy. We find that the inelastic neutron scattering spectra measured below and above the spin-reorientation transition are remarkably different.     

Fe-Cu-Nb-Si-B纳米晶体软磁材料中有效磁各向异性的测定

研究了成分为Fe_73.5Cu₁Nb₃Si_13.5B₉的纳米晶体结构的软磁材料的磁各向异性。理论分析及测量结果说明,用趋近饱和的磁化过程可以测定出这种材料中的有效磁各向异性常数,它比晶粒中的磁晶各向异性常数K₁约小一个数量级。 关键词：     

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.     

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：     

Energy contributions in magnetite nanoparticles: computation of magnetic phase diagram,theory, and simulation

In this study, we present a theoretical analysis of magnetization processes by considering energy contributions in magnetite fine particles. The focus is on the K _S-driven magnetic phase transition taking place between the low surface-anisotropy ferrimagnetic state and the hedgehog configuration obtained in the high surface-anisotropy limit. Analytical expressions of energy terms (exchange, magnetocrystalline anisotropy, surface-anisotropy) are presented and their magnitudes are computed for different particle sizes. Monte Carlo simulations were also carried out for comparison purposes. A core–shell model is implemented for simulating magnetite nanoparticles between 2 and 10 nm in diameter. Our simulation framework is based on a three-dimensional classical Heisenberg-like Hamiltonian with nearest magnetic neighbors interactions. It includes exchange coupling, cubic magnetocrystalline anisotropy for core ions, and single-ion site surface-anisotropy for those atoms belonging to the shell. The magnetic phase diagram and comparisons between analytical and numerical results are presented and discussed.     

Magnetic, magetostrictive properties, spin reorientation and M?ssbauer effect of Tb0.3Dy0.7?xPrx(Fe0.9Al0.1)1.95 alloys

The effect of Pr substitution for Dy on the magnetic and magnetostrictive properties, anisotropy, spin reorientation and M?ssbauer effect of a series of Tb_0.3Dy_0.7−x Pr _x (Fe_0.9Al_0.1)_1.95 (x=0, 0.1, 0.20, 0.25, 0.30, 0.35) alloys at room temperature have been investigated. It was found that a small amount of Pr substitution is beneficial to a decrease in the magnetocrystalline anisotropy for the Tb_0.3Dy_0.7−x Pr _x (Fe_0.9Al_0.1)_1.95 alloys. The magnetostriction decreases drastically with increasing x and the magnetostrictive effect disappears for x>0.2. However, the magnetostriction exhibits a slightly bigger value at x=0.1 than the free alloys and is saturated more easily with the magnetic field H. The saturation magnetization and Curie temperature decrease monotonously, but the spontaneous magnetostriction increases linearly with increasing x, whereas the spin reorientation temperature increases first, then decreases rapidly and reaches the maximum at x=0.1. The analysis of M?ssbauer spectra indicated that the easy magnetization direction in the {110} plane deviates slightly from the main axis of symmetry with the Pr concentration x, namely spin reorientation. Compared with Al substitution for Fe, the effect of Pr substitution for Dy on spin reorientation is relatively small. The hyperfine field increases with Pr concentration increasing, and the isomer shifts and the quadrupole splitting (QS) show weak concentration dependence. Supported by the National Natural Science Foundation of China (Grant No. 10574059), the Natural Science Foundation of Gansu Province (Grant No. 0710RJZA074), the Second Scientific Research Project of Bureau of Gansu Education and ‘Qing Lan’ Talent Engineering Funds of Lanzhou Jiaotong University     

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：     

Magnetic properties of the noncollinear phase of a FeBO<Subscript>3</Subscript>:Mg single crystal

The magneto-optical method is used to investigate magnetization and low-frequency magnetic susceptibility curves of the FeBO₃ single crystal doped with diamagnetic Mg ions. It is demonstrated that substitution of a fraction of Fe ions by the Mg ions in the structure of this easy-plane weak ferromagnet causes a significant intraplane magnetocrystalline anisotropy at low temperatures as well as different forms of magnetic hysteresis loops and field dependences of the magnetic susceptibility recorded for different orientations of the external magnetic field relative to the basal crystal plane. The established special features of the FeBO₃:Mg magnetic properties are explained by the transition of the magnetic crystal from the uniform to spatially modulated state during technical magnetization.     

Magnetic characterisation of the ternary carbide ThFe11C x (1.5≤x≤2) by57Fe Mössbauer spectroscopy

A⁵⁷Fe Mössbauer spectroscopy analysis of the ternary carbide ThFe₁₁C _x withx=1.5 and 1.8 has permitted to clearly identify the three different Fe sublattices from their relative abundance. Moreover, direct bonds exist between carbon atoms and iron atoms of one of the three sublattices, yielding a relatively large decrease of the local magnetic moment. A spin reorientation phenomenon (SR), taking place at low temperature, is shown to be of first order type. Both the exchange interactions and magnetocrystalline anisotropy parameters are very sensitive to the carbon stoichiometry. They are analysed for their role on the shifts inT _c andT _SR respectively.