Shape magnetostriction in Pd based alloys and in Pd metal

Dilute PdCo and PdNi alloys show strong shape magnetostriction while PdFe shows a much weaker effect, confirming the existence of local orbital moments on Co and Ni atoms in Pd. Comparison with measurements on pure Pd indicates that in Pd metal, the forced shape magnetostriction is mainly associated with the Van Vleck susceptibility.     

Electronic structure and half-metallicity of the new Heusler alloys PtZrTiAl,PdZrTiAl and Pt0.5Pd0.5ZrTiAl

The electronic structure and magnetic properties of the PtZrTiAl, PdZrTiAl and Pt_0.5Pd_0.5ZrTiAl Heusler alloys were investigated using the full-potential linearized augmented plane wave (FPLAPW) within the generalized gradient approximation (GGA). For the PtZrTiAl, and PdZrTiAl alloys, the results showed that these Heusler alloys were stable in the Type I structure. The (Pt, Pd)ZrTiAl Heusler alloys are found to exhibit half-metallic ferromagnetism for both the Type I and Type II structure. The total magnetic moments of the PtZrTiAl and PdZrTiAl alloys were obtained to be 3 μ_B per formula unit, which are in agreement with the Slater-Pauling rule m_tot = (Nv ? 18). The half-metalliciy characteristic exists in the relatively wide ranges of 6.06–6.78 Å, and 6.13–6.73 Å for the PtZrTiAl and PdZrTiAl alloys, respectively. To complete the fundamental characteristics of these alloys, Pt_0.5Pd_0.5ZrTiAl is predicted to be a half-metallic ferromagnet with an energy gap of 0.90 eV in the minority spin and a complete spin polarization at the Fermi level. These new Heusler alloys may become ideal candidate material for future spintronic applications.     

A new study on the catalytic mechanism of Fe-based alloys in diamond formation by Mössbauer spectroscopy

M?ssbauer spectroscopy has been used to systemically study the catalytic mechanism of Fe-based alloys in diamond formation at high temperature–high pressure (HTHP) for the first time. M?ssbauer spectra reveal the magnetic state of the 3d electrons of a Fe atom in the Fe-based alloy catalyst during diamond formation at HTHP. During carburization at lower temperatures than that required for diamond formation and diamond formation in the diamond-stability region using Fe-based alloys as a catalyst, both the quadrupole splitting QS and the isomer shift IS change from negative to positive, especially reaching a state in which they are zero. It was indicated that the state of the 3d-shell electrons of the iron atom changes greatly during carburization and diamond formation and that the incomplete 3d sub-bands of Fe atoms in the catalyst alloys could be filled up in proper order by electrons of interstitial carbon atoms. During diamond formation, the unpaired 3d-shell electrons of an iron atom in the Fe-based alloy absorb and interact with 2P_z electrons of the carbon atoms. There exist a Fe–C bonding and an electron charge transfer stage. The 2P_z electrons of the carbon atoms could be dragged into the metal atoms in the catalyst alloy and would make a transition of triangular (sp²π) hybridization of valence electrons to tetrahedral (sp³) hybridization of valence electrons (a transition of sp²π bonds of graphite to sp³ bonds of diamond), resulting in a transition of graphite structure to diamond. Although the conclusion of this study is strictly applicable only to Fe-based alloy catalysts, it could be considered more general because of the chemical similarities between the transition elements used as solvent catalysts for diamond synthesis. Received: 2 March 2001 / Accepted: 20 August 2001 / Published online: 2 October 2001     

Spin fluctuation and local magnetism of isolated Fe impurities in Pd<Subscript>1−x</Subscript>V<Subscript>x</Subscript> alloys studied by time differential perturbed angular distribution spectroscopy

The magnetic moment and spin fluctuation temperature of isolated Fe impurity atoms in Pd_1?xV_x (0 ≤ x ≤ 0.15) alloys have been studied by time differential perturbed angular distribution (TDPAD) technique. With increasing V content in Pd matrix, a large non-linear reduction of the local magnetic moment accompanied with an exponential increase of the spin fluctuation temperature T_SF has been observed. At and beyond x = 0.12, the Fe atoms are found to be nonmagnetic. As an important new feature, T_SF is observed to vary quadratically with composition dependent changes in host spin polarization.     

Magnetic contribution to the atomic volume in alloys of Fe,Mn and Cr

In the third of a series of papers on the magnetic contribution to the atomic volume of d metals and their alloys, a simple form for this relation, verified for 3d metals and for 3d alloys of Fe, is further checked using available data on much wider range of Fe alloys with transition and non-transition elements, and on alloys of Mn and Cr. The magnetovolume relation proposed satisfactorily describes the available data for this wide range of materials.     

Low-temperature properties of ordered Cu<Subscript>3</Subscript>Pd-based alloys

The effect of atomic disordering and alloying with d elements (Fe, Pd, Cu) on the transport and magnetic properties of Cu₃Pd alloys has been investigated at low temperatures (T < 80 K) in strong magnetic fields (H ≤ 8 MA/m). The specific features of the crystal structure and temperature and field dependences of the electrical resistance, magnetoresistance, Hall effect, and magnetic susceptibility of Cu₇₂Pd₂₈, Cu₇₅Pd₂₅, Cu₈₀Pd₂₀ and Cu_74.5Pd_24.5Fe₁ alloys are discussed.     

Pd/Fe和PdFe/Fe多层膜中的振荡行为

采用磁控溅射法制备了Pd/Fe和Pd_1-xFe_x/Fe多层膜.利用变换梯度磁强计测量了样品的M_s.发现层间耦合是铁磁性的,M_s具有长程振荡,周期为4ML.振荡的相位和周期在Pd_0.966Fe_0.034/Fe和Fd_0.944Fe_0.056/Fe系统中保持不变.就Pd/Fe多层膜中是否存在内层的Pd负极化和长程的铁磁耦合振荡进行了讨论,并分析了不同计算结果以及理论计算与实验结果之间存在差异的原因. 关键词：     

Ab-initio investigation of electronic properties and magnetism of half-Heusler alloys XCrAl (X=Fe, Co, Ni) and NiCrZ (Z=Al, Ga, In)

The electronic structures and magnetism of the half-Heusler alloys XCrAl (X=Fe, Co, Ni) and NiCrZ (Z=Al, Ga, In) have been investigated to search for new candidate half-metallic materials. Here, we predict that NiCrAl, and NiCrGa and NiCrIn are possible half-metals with an energy gap in the minority spin and a completely spin polarization at the Fermi level. The energy gap can be attributed to the covalent hybridization between the d states of the Ni and Cr atoms, which leads to the formation of bonding and antibonding peaks with a gap in between them. Their total magnetic moments are 1μ_B per unit cell; agree with the Slater-Pauling rule. The partial moment of Cr is largest in NiCrZ alloys and moments of Ni and Al are in antiferromagnetic alignment with Cr. Meanwhile, it is also found that FeCrAl is a normal ferromagnetic metal with a magnetic moment of 0.25μ_B per unit cell and CoCrAl is a semi-metal and non-magnetic.     

Solute diffusion in liquid metals

The diffusion of several solutes in liquid silver and tin is discussed in terms of the fluctuation model, the modified critical fluctuation theory and the ‘hole’ theory of liquid diffusion, assuming the solute as a point charge equal to the difference in the charge of the solute and solvent atoms. The additional coulombic interaction of the solute was calculated in terms of the Thomas-Fermi approximation. In addition, the temperature dependence of solute diffusion in liquid tin is also evaluated from the self-consistent Hartree potential around an impurity charge. The theoretical and experimental values of relative diffusivity and its temperature dependence for various solutes, Ru, Co, Au, In, Sn and Sb, in liquid silver are in good quantitative agreement. Ru and Co in liquid silver appear to diffuse with effective valences of about -2 and zero, respectively.

The theoretical evaluation of solute diffusion in liquid tin provides only a qualitative agreement with the experimental data. The results obtained by use of the two potentials—the Thomas-Fermi and self-consistent Hartree potential around an impurity charge—are contrary to each other and provide only a qualitative agreement with the data on electromigration of various solutes in liquid tin.     

Vacancy mechanism of high oxygen solubility and nucleation of stable oxygen-enriched clusters in Fe

First-principles studies identify a vacancy mechanism underlying the unusually high O solubility and nucleation of stable O-enriched nanoclusters in defect-containing Fe. Oxygen, confined as an interstitial, shows an exceptionally high affinity for vacancies, an effect enhanced by spin polarization. If vacancies preexist, the O-vacancy pair formation energy essentially vanishes, allowing the O concentration to approach that of the vacancies. This O-vacancy mechanism enables the nucleation of O-enriched nanoclusters, that attract solutes with high O affinities (Ti and Y) and strengthen Fe-based alloys.     

Evidence for local orbital moments on Ni and Co impurities in Pd

The spontaneous magnetoresistance anisotropy has been measured for the ferromagnetic alloys PdNi, PdCo and PdFe. The results confirm the conclusion drawn from other data that in Pd, Ni and Co (but not Fe) possess local orbital moments.     

Effect of Fe substitution on the magnetic properties of half-Heusler alloy CoCrAl

The effect of Fe substitution for the vacant site in half-Heusler alloy CoCrAl is studied. A series of single phase CoFe_xCrAl (x=0.0, 0.25, 0.5, 0.75 and 1.0) alloys has been successfully synthesized. The lattice constant is found to increase almost linearly with increasing Fe content, indicating Fe atoms enter the lattice of CoCrAl instead of existing as a secondary phase. When Fe entering the vacant site, spin polarization occurs and the alloy turns from a semimetal in CoCrAl to a half-metallic ferromagnet (HMF) in CoFeCrAl. This is due to the reconstruction of the energy band with Fe substitution. The Curie temperature and saturation magnetic moments are enhanced and increase monotonically with increasing Fe content. The variation of the spin moment follows the Slater-Pauling curve and agrees with the theoretical calculation as well.     

MAGNETIC POLARIZATION OF Pd SPACERS AND OSCILLATORY EXCHANGE COUPLING BETWEEN Fe AND Pd LAYERS IN Fe/Pd MULTILAYERS

Ay oscillatory behavior in specific saturation magnetization of Fe/Pd multilayers is observed. The conversion electron M?ssbauer spectroscopy and other experiments indicate that this behavior is caused by the magnetic polarization of Pd spacers, which alternates between positive and negative polarization with respect to the magnetic moments of Fe layers. The interlayer coupling between two Fe layers always keeps ferromagnetic. Then, the interlayer couplings in ferromagnetic metal/nearly ferromagnetic metal multilayers were calculated By using the model of Barnas. The results of calculation prove that the above phenomenon might appear under some condition. The influence of magnetic polarization potential of spacers and interface chemical potential on the interlayer couplings is also discussed.     

The Electronic and Magnetic Properties of FCC Iron Clusters in FCC 4D Metals

The electronic and magnetic structures of small FCC iron clusters in FCC Rh, Pd and Ag were calculated using the discrete variational method as a function of cluster size and lattice relaxation. It was found that unrelaxed iron clusters, remain ferromagnetic as the cluster sizes increase, while for relaxed clusters antiferromagnetism develops as the size increases depending on the host metal. For iron in Rh the magnetic structure changes from ferromagnetic to antiferromagnetic for clusters as small as 13 Fe atoms, whereas for Fe in Ag antiferromagnetism is exhibited for clusters of 24 Fe atoms. On the hand, for Fe in Pd the transition from ferromagnetism to antiferromagnetism occurs for clusters as large as 42 Fe atoms. The difference in the magnetic trends of these Fe clusters is related to the electronic properties of the underlying metallic matrix. The local d densities of states, the magnetic moments and hyperfine parameters are calculated in the ferromagnetic and the antiferromagnetic regions. In addition, the average local moment in iron-palladium alloys is calculated and compared to experimental results.     

The extraordinary hall effect in dilute Pd based alloys

The extraordinary Hall effect has been measured for ferromagnetic alloys PdNi, PdCo, PdFe and Mn. In the low concentration region, different behaviour of PdNi and PdCo in comparison with PdFe and PdMn confirms the existence of local orbital moments of Ni and Co in Pd.     

57Fe Mössbauer investigation of the ternary hydride Pd3FeHx

Ordered alloys of Pd₃Fe are shown to readily absorbe hydrogen through electrolytic loading. The resultant ternary hydride phase is observed to retain the fcc structure of Pd₃Fe with approximately the same lattice constant. The ⁵⁷Fe hyperfine field determined by Mössbauer spectroscopy is found to be 30% smaller in the hydride compared to Pd₃Fe. The reduction appears to be associated with a perturbation of the Pd moment by hydrogen. The results suggest the occupation of one type of interstitial site in the structure. The absence of the site in disordered Pd₃Fe would explain the much smaller hydrogen capacity observed for this alloy.     

Magnetic properties of metallic glasses of the type Fe80−x Pd x B20 and Fe80−x Pt x B20

Amorphous alloys of the type Fe_80???xPd_xB₂₀ and type Fe_80???xPt_xB₂₀ for 0?≤?x?≤?50 have been investigated by means of ⁵⁷Fe Mössbauer spectroscopy and magnetisation measurements in temperatures from 4.2 up to 300 K. Curie temperatures and crystallisation temperatures are found by DTMG-DTA method. Mössbauer spectroscopy magnetic field is observed to visible increase for x?=?1 and 1.5% at room temperature for Pd, while a decrease is observed for higher x values. Curie temperature for Pd alloys has a maximum at x?=?4 with T _C?=?753 K, which supports enforcing influence of Pd at low concentrations of Pd for magnetic interactions. We discuss different explanations for these measurements and compare with other findings for high Pd concentrations and alloys with Pt instead of Pd.