Hyperfine interactions in ultrafine amorphous Fe−M−B (M=Ni,Co) alloys

Ultrafine amorphous (Fe, Co, Ni) B powders have been prepared by a chemical reduction method. The influence of the Co and Ni atoms on the distribution of internal magnetic fields P(B_hf) has been investigated. The quadrupole splitting distribution P(QS) of ultrafine amorphous Fe−Ni−B powders has a form similar to that derived for the dense random packing of atoms.     

First-principles prediction of half-metallic ferromagnetism in Cd(TM)O2 (TM=Cr, Mn, Fe, Co, Ni) compounds

We report the electronic structure of Cd(TM)O₂ (TM=Cr, Mn, Fe, Co, Ni) in the chalcopyrite structures. From this study we find that Cd(TM)O₂ is a half-metallic ferromagnetic compound. From the energy consideration we find that Cd(TM)O₂ is more stable in chalcopyrite structure rather than in rock salt structure. A careful analysis of the spin density reveals the ferromagnetic coupling between the p-d states and the cation dangling-bond p states, which is believed to be responsible for the stabilization of the ferromagnetic phase. The calculated heat of formation, bulk modulus and cohesive energy are reported.     

Ab initio prediction of half-metallic ferromagnetism in Zn(TM)O2 (TM=Cr,Mn, Fe,Co, Ni) compounds

From the results of first principles tight-binding linear muffin-tin orbital (TB-LMTO) calculations, half-metallic ferromagnetism is proposed in Zn(TM)O₂ with a chalcopyrite structure. The calculated electronic and magnetic property shows that consistent with the integer value for the total magnetic moment, half metallicity is obtained for ZnCrO₂, ZnMnO₂, ZnFeO₂, ZnCoO₂ and ZnNiO₂. A careful analysis of the spin density reveals the ferromagnetic coupling between the p–d states and the cation dangling-bond p states, which is believed to be responsible for the stabilization of the ferromagnetic phase. The calculated heat of formation, bulk modulus and cohesive energy are reported.     

过渡金属掺杂GaN的电子结构和光学性质理论研究

采用基于密度泛函理论的第一性原理平面波赝势法计算不同过渡金属（V, Cr, Mn, Fe, Co, Ni）掺杂GaN的电子结构及光学性质,分析掺杂对电子结构及光学性质的影响.结果表明,过渡金属掺杂在GaN的禁带中引入杂质能带,除掺Fe体系外其它掺杂体系都表现为半金属性.除掺Fe和Ni体系在低能区没有出现光吸收外,其它体系均在低能区杂质能级处出现光吸收.     

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.     

Hall effect in the ternary ordered alloys Ni3(Mn,Fe) and Ni3(Mn,Co) 1. Disordered solution solutions

The normal and anomalous Hall constants R₀ and R_s, respectively, and the resistivity have been measured for the quasibinary alloys Ni₃Mn-Ni₃Fe and Ni₃Mn-Ni₃Co. The results imply that in ternary alloys of Ni₃Mn containing slight Fe and Co impurities the hole regions of the Fermi surface make an important contribution to R₀ and that the primary scattering mechanism for the carriers corresponding to the anomalous Hall current in the alloys with Fe at room temperature is phonon scattering. It is concluded that the Fermi surface of the Ni₃Mn-Ni₃Fe alloys is closed.Translated from Izvestiya VUZ. Fizika, No. 3, pp. 21–29, March, 1970.     

Hall effect in the ternary ordered alloys Ni3(Mn,Fe) and Ni3(Mn,Co) II. Ordered solid solutions

An experimental study was made of the changes in the normal and anomalous Hall constants R₀ and R_s, respectively, the internal saturation induction B_s, and the resistivity ? during the ordering of quasibinary Ni₃Mn-Ni₃Fe and Ni₃Mn-Ni₃Co alloys. The concentration dependences of R₀, R_s, B_s, and ? were also studied in the ordered state of these alloys. It is concluded from an analysis of the experimental results that the decreases inR₀ and ? during the ordering of Ni₃Mn and as a result of the alloying of ordered Ni₃Mn with slight amounts (～5 at. %) of iron are due primarily to a decrease in the hole contribution to transport and to a decrease in the state density in the 3d band of these alloys near the Fermi level. The experimental data are in satisfactory agreement with the curve calculated by Yamashita et al. [6] for the density of 3d states in ordered Ni₃Mn and Ni₃Fe alloys.     

Comparison among the local atomic order of amorphous TM-Ti alloys (TM = Co,Ni, Cu) produced by mechanical alloying studied by EXAFS

We have investigated the local atomic structure of amorphous TM-Ti alloys (TM = Co, Ni, Cu) produced by Mechanical Alloying by means of EXAFS analyses on TM and Ti K-edges. Coordination numbers and interatomic distances for the three alloys where found and compared. EXAFS results obtained indicated a shortening in the unlike pairs TM-Ti as the difference between d electrons of TM and Ti atoms increases, suggesting an increase in the chemical short range order (CSRO) from TM = Co to Cu.Received: 12 October 2003, Published online: 9 April 2004PACS: 61.43.Dq Amorphous semiconductors, metals, and alloys - 61.10.Ht X-ray absorption spectroscopy: EXAFS, NEXAFS, XANES, etc. - 81.20.Ev Powder processing: powder metallurgy, compaction, sintering, mechanical alloying, and granulation     

Magnetic characteristics of hyperstoichiometric ZrCrFeT0.8 (T = Mn,Fe, Co and Ni) and hydrides

Magnetic behavior has been established for the hypertoichiometric ZrCrFeT_0.8 (T = Mn, Fe, Co and Ni) systems and their hydrides as well as stoichiometric ZrCrFe and its hydride at temperatures extending from 4 to 1200 K and at field strengths up to 20 kOe. All systems possess the hexagonal Laves structure (C14). Long-range magnetic ordering appears to be absent in the parent systems. ZrCrFe, ZrCrFeMn_0.8 and ZrCrFe_1.8 exhibit spin-glass-like behavior. In all systems hydrogenation is accompanied by a large expansion of volume, ranging from ≈ 20% to ≈ 30%, with no change in crystal structure. Upon hydrogenation long-range ferromagnetism appears in ZrCrFe and ZrCrFe_1.8 but not in the other ZrCrFeT_0.8 systems. The onset of the long-range magnetic ordering is interpreted in terms of the formation of ferromagnetic clusters of Fe.     

Spin glass behavior in the new amorphous alloys M2SnTe4 (M=Cr,Mn, Fe)

The amorphous alloys M₂SnTe₄ (M=Cr, Mn, Fe) are prepared by a new method involving the oxidation of main group polyanions (Zintl anions) by transition metal cations in solution at or below room temperature. The M₂SnTe₄ materials undergo a transition to a spin glass state at 12 K ? T_f ? 20 K and were characterized by dc magnetization, ⁵⁷Fe and ¹¹⁹Sn Mossbauer and x-ray diffraction measurements as well as the behavior of the remanent magnetization.     

Electronic structure of the ordered ferromagnetic alloys Ni3Mn,Ni3Fe,and Ni3Co

Calculations of the band structure of the ferromagnetic alloys Ni₃Mn, Ni₃Fe, and Ni₃Co are presented. The results are compared with experimental data. Change in the electronic structure as one goes from Ni₃Mn to Ni₃Co is analyzed. The occurrence of ferromagnetism in the alloys studied and the possibility of their existence in an ordered ferromagnetic state are examined.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 6, pp. 82–88, June, 1988.     

Onset of magnetism in concentrated ternary alloys II: Laves phase compounds A(Fe1-xBx)2 (A = Y,Zr, U; B = Mn,Co and Al)

The onset of magnetism as a function of concentration and the magnetic properties of nine ternary Laves phase systems A(Fe_1-xB_x)₂ (A=Y, Zr, U; B=Mn, Co and Al) are discussed in terms of homogeneous and heterogeneous models based on the SEW model and the Landau theory of phase transition of second order. A significant influence of the nomagnetic elements Y, Zr and U upon the Fe magnetic moment substituted by Mn, Co and Al is observed. Low temperature freezing phenomena affect the magnetization process around the critical concentration x_c in Y and Zr compounds while they seem to be of minor importance for the U systems. Comparing the magnetic properties of these nine systems implies that the magnetization process becomes more homogeneous in the sequence of Y-, Zr- and U(Fe, B)₂ compounds. This - together with volume considerations and the different magnetovolume effects observed as well as susceptibility measurements lead to the suggestion that the Fe moment tends to become more delocalized as one proceeds from Y to U compounds as a consequence of the growing extent to which Y, Zr, U d-electrons are hybridized with the 3d electrons. Furthermore, U can be regarded as tetravalent in these Laves phase compounds, except UAl₂, in which presumably an admixture of U³⁺ and U⁴⁺ occurs.     

Study of magnetic and optical properties of Zn_(1-x)TM_xTe(TM = Mn,Fe,Co,Ni) diluted magnetic semiconductors:First principle approach

We present structural,magnetic and optical characteristics of Zn_(1-x)TM_xTe(TM = Mn,Fe,Co,Ni and x = 6.25%),calculated through Wien2 k code,by using full potential linearized augmented plane wave(FP-LAPW) technique.The optimization of the crystal structures have been done to compare the ferromagnetic(FM) and antiferromagnetic(AFM) ground state energies,to elucidate the ferromagnetic phase stability,which further has been verified through the formation and cohesive energies.Moreover,the estimated Curie temperatures T_c have demonstrated above room temperature ferromagnetism(RTFM) in Zn_(1-x)TM_xTe(TM =Mn,Fe,Co,Ni and x= 6.25%).The calculated electronic properties have depicted that Mn- and Co-doped ZnTe behave as ferromagnetic semiconductors,while half-metallic ferromagnetic behaviors are observed in Fe- and Ni-doped ZnTe.The presence of ferromagnetism is also demonstrated to be due to both the p-d and s-d hybridizations between the host lattice cations and TM impurities.The calculated band gaps and static real dielectric constants have been observed to vary according to Penn's model.The evaluated band gaps lie in near visible and ultraviolet regions,which make these materials suitable for various important device applications in optoelectronic and spintronic.     

Thermal Expansion in Fe2MAl (M = Ti,V, Cr,Mn, Fe,Co, and Ni) Band Ferromagnets

Physics of the Solid State - The linear thermal expansion coefficients (LTEC) of semimetallic Fe2MAl (M = Ti, V, Cr, Mn, Fe, Co, and Ni) alloys have been measured in the temperature range...     

Dopant dependent stability of Co n TM+ (TM = Ti,V, Cr,and Mn) clusters

In this paper, we present a photofragmentation study of mass-selected transition metal-doped cobalt cluster cations Co _n TM⁺  (n = 8–18, TM = Ti, V, Cr, and Mn). Time-of-flight spectra recorded after laser excitation of mass-selected clusters in the gas phase show that the evaporation of a cobalt atom is the most facile dissociation channel for clusters with TM = Ti and V, suggesting an enhanced stability of the doped clusters compared to the bare ones. In contrast, for Co _n TM⁺ with TM = Cr and Mn, the loss of the dopant atom is found to be the preferred dissociation channel. Co₁₃Cr⁺ is a notable exception and favors dissociation by loss of a neutral Co atom. It is implied that substituting Mn and Cr generally destabilizes the cobalt clusters with the exception of Co₁₂Cr⁺, which is relatively more stable than Co ₁₃ ⁺ . Additional measurements of V _n Co⁺ (n = 9–16) show that the loss of a Co atom is still the most facile dissociation channel, which is in agreement with the predicted stronger V?V bond compared to the V?Co one.     

Full-Heusler合金X2YGa(X=Co,Fe,Ni;Y=V,Cr,Mn)的电子结构、磁性及半金属特性的第一性原理研究

利用基于密度泛函理论的全势线性缀加平面波方法,结合广义梯度近似,对full-Heusler X₂YGa(X=Co,Fe,Ni;Y=V,Cr,Mn)合金的电子结构、磁性及半金属特性进行了研究,并讨论了自旋-轨道耦合作用对它们的影响.计算结果表明,自旋-轨道耦合作用对full-Heusler X₂YGa(X=Co,Fe,Ni;Y=V,Cr,Mn)合金的电子结构,磁性与半金属特性的影响很小. 当未考虑自旋-轨道耦合作用时,Co₂VGa,Co₂CrGa,和Fe₂CrGa合金为半金属或准半金属铁磁体,加入自旋-轨道耦合作用后体系的自旋极化率将降低1%左右, 它们依然保持很高的自旋极化率.Fe₂MnGa,Co₂MnGa,Ni₂CrGa和Ni₂MnGa合金为一般铁磁体,Fe₂VGa和Ni₂VGa合金为顺磁体. 关键词： 半金属特性 自旋-轨道耦合 Heusler合金 全势线性缀加平面波方法(FLAPW)     

Origin of perpendicular magnetic anisotropy and evolution of magnetic domain structure of amorphous Pr-TM-B (TM=Fe, Co) films

In this study, the deposition pressure dependence of the compositional ratio, magnetic domain structure, and perpendicular magnetic anisotropy (PMA) of B-containing PrFe- and PrCo-based films, which are rare-earth-transition-metal (RE-TM) films, was investigated. PrFe- and PrCo-based films were fabricated by magnetron sputtering. The film compositions were controlled in a wide range by varying the deposition pressure. On the basis of experimental results, the residual stress of the films was considered to be the possible origin of their PMA. The films showed strong magneto-optical effects over the entire wavelength range of 300-750 nm. Because of the excellent magnetic and magneto-optical (MO) properties of the films, they have high potential for MO applications at wavelengths of red and blue lasers.