The first principle study of magnetic properties of Mn2WSn,Fe2YSn (Y=Ti,V), Co2YSn (Y=Ti,Zr, Hf,V, Mn) and Ni2YSn (Y=Ti,Zr, Hf,V, Mn) heusler alloys

The spin polarized electronic band structures, density of states (DOS) and magnetic properties of Mn₂WSn, Fe₂YSn (Y=Ti, V), Co₂YSn (Y=Ti, Zr, Hf, V, Mn) and Ni₂YSn (Y=Ti, Zr, Hf, V, Mn) huesler compounds are reported. The calculations are performed by using full-potential linearized augmented plane wave method (FP-LAPW) within density functional theory. The magnetic trend in these compounds is studied using values of magnetic moments, exchange interaction and calculated band gap. The results reveal that Mn₂WSn and Ni₂VSn show 100% spin polarization, Co₂YSn (Y=Ti, Zr, Hf, Mn), Fe₂YSn (Y=Ti, V), and Ni₂MnSn exhibit metallic nature and Ni₂YSn (Y=Ti, Zr, Hf) and Co₂VSn show semi-conducting behavior.     

Magnetism of Cu2(Mn1−xNix)Sn Heusler alloys

New mixed Heusler alloys of the system Cu₂(Mn_1?xNi_x)Sn were prepared with x = 0–1. Magnetic measurements in the ferromagnetic region were undertaken. For manganese, the only atom displaying a magnetic moment in this row of Heusler alloys, 4μ_B was found, deviations were due to the degree of order. Measurements in the paramagnetic region were not possible because of phase transitions on heating leading to polyphase samples. The critical concentration of magnetic ions was estimated to 13 at.% and compared with models given by Duff and Cannella [6]. With the same plot the Curie point for Cu₂MnSn could be determined (630 K).     

Preparation and magnetic properties of the conductive Co(1−x)NixFe2O4/polyaniline microsphere composites

Core-shell Co_(1−x)Ni_xFe₂O₄/polyaniline nanoparticles, where the core was Co_(1−x)Ni_xFe₂O₄ and the shell was polyaniline, were prepared by the combination of sol-gel process and in-situ polymerization methods. Nanoparticles were investigated by Fourier transform spectrometer, X-ray diffraction diffractometer, Scanning electron microscope, Differential thermal analysis and Superconductor quantum interference device. The results showed that the saturation magnetization of pure Co_(1−x)Ni_xFe₂O₄ nanoparticles were 57.57 emu/g, but Co_(1−x)Ni_xFe₂O₄/polyaniline composites were 37.36 emu/g. It was attributed to the lower content (15 wt%), smaller size and their uneven distribution of Co_(1−x)Ni_xFe₂O₄ nanoparticles in the final microsphere composites. Both Co_(1−x)Ni_xFe₂O₄ and PANI/Co_(1−x)Ni_xFe₂O₄ showed superparamagnetism.     

Investigation of electronic configurations of Ni3(Fe,Ti) and Ni3(Mn,Ti) alloys

The ordinary Hall constant R_o of quenched Ni₃(Fe, Ti) and Ni₃(Mn, Ti) alloys was measured. The number of 4s and 3d electrons per atom was calculated on the basis of a four-band model. At low Ti concentrations in Ni₃(Fe, Ti) the contribution of 3d holes to R_o is negligible, but at high concentrations it is significant. The contribution of 3d holes to R_o for Ni₃(Mn, Ti) is considerable, and for Ni₃Mn and Ni₃(Mn +9.8% Ti) it is dominant. It is concluded that the changes in band energy of the bond between Ni and Ti in the considered systems are of a different nature.Deceased.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 5, pp. 12–14, May, 1981.     

Electrochemical behavior of Li intercalation processes into a Li[NixLi(1/3−2x/3)Mn(2/3−x/3)]O2 cathode

Li[Ni_xLi_(1/3−2x/3)Mn_(2/3−x/3)]O₂ (X=0.17, 0.25, 0.33, 0.5) compounds are prepared by a simple combustion method. The Rietvelt analysis shows that these compounds could be classified as having the α-NaFeO₂ structure. The initial charge-discharge and irreversible capacity increases with the decrease of x in Li[Ni_xLi_(1/3−2x/3)Mn_(2/3−x/3)]O₂. Indeed, Li[Ni_0.50Mn_0.50]O₂ compound shows relatively low initial discharge capacity of 200 mAh/g and large capacity loss during cycling, with Li[Ni_0.17Li_0.22Mn_0.61]O₂ and Li[Ni_0.25Li_0.17Mn₀.₅₈]O₂ compounds exhibit high initial discharge capacity over 245 mAh/g and stable cycle performance in the voltage range of 4.8 -2.0 V. On the other hand, XANES analysis shows that the oxidation state of Ni ion reversibly changes between Ni²⁺ and about Ni³⁺, while the oxidation state of Mn ion sustains Mn⁴⁺ during charge-discharge process. This result does not agree with the previously reported ‘electrochemistry model’ of Li[Ni_xLi_(1/3−2x/3)Mn_(2/3−x/3)]O₂, in which Ni ion changes between Ni²⁺ and NI⁴⁺. Based on these results, we modified oxidation-state change of Mn and Ni ion during charge-discharge process.     

Onset of magnetism in concentrated ternary alloys I

The onset of magnetism and the magnetic propreties of concentrated substitutional ternary alloys A(Fe_1?xB_x)₂ (A = Y, Zr, U; B = Mn, Co, Ni and Al), Y₂(Ni_1?xCo_x)₇, Y(Ni_1?xCo_x)₃, Y₆(Fe_1?xMn_x)₂₃ and Ti(Fe_1?xCo_x) as well as the amorphous alloy system (Fe_1?xNi_x)₇₇Si₁₀B₁₃ are discussed in terms of homogeneous and heterogeneous models based on the Stoner-, Edwards- Wohlfa arth- and the Landau theory of phase transitions of second order. For a detailed comparison of the nine ternary systems A(Fe, B)₂ (A = Y, Zr, U; B = Mn, Co, Al) we refer to a following paper. From the results obtained on alloying UNi₂ with Fe, Co and Cu we propose that the magnetic moment of UNi₂—contrary to UFe₂—resides mainly on U rather than on the Ni site. The appearance of magnetism in YNi_x compounds by either changing the Y : Ni ratio or substituting Ni by Co in YNi₃ and Y₂Ni₇ is mainly attributed to band effects for which a schematic N(E) curve is proposed. The breakdown of long-range magnetic order in Y₆(Fe, Mn)₂₃ seems to be caused by a lack of delocalized electrons and a preferential site occupation of Mn and Fe. The magnetic properties of Ti(Fe_1?xCo_x) change from an itinerant to a localized moment behaviour above and below x = 0.5 due to the occurrence of Fe antistructure atoms which drive the onset of long-range magnetic order. The occurrence of magnetism in amorphous alloys compared with that of crystalline alloys with a high degree of disorder may be characterized in a similar way.     

Structural stability and structural imitation of (M = Mn,Mo, Nb,Ti, V,Al, Cr,Ni and Si)

The structural stability of La₂Co_17-xM_x (M = Mn, Mo, Nb, Ti, V, Al, Cr, Ni and Si) based on the interatomic potential has been studied. The calculated site preference of the third element M is found to be the 6c site, which is in agreement with the experiments. In the calculations, if the crystal cohesive energy of La₂Co₁₆Mn is taken as the highest one in the crystallization of La₂Co_17-xM_x, the lowest content x of the third element M (M = Mn, Mo, Nb, Ti and V) required to stabilize La₂Co_17-xM_x, is near that found in the experiments. The differences of the cell parameters between the calculated and the experimental values are less than 0.4%. The differences of the atomic parameters for Co (or M) between the calculated and the experimental values are about or even smaller than 1%, and that of La is about 3%. Because the energies of La(Co_1-xAl_x)₁₃ are lower than those of La₂(Co_1-xAl_x)₁₇, La₂(Co_1-xAl_x)₁₇ could not be formed in the experiments. In the calculations, with either a range of deformation of the structure or the reconstruction of the initial structure La₂Co₁₇ from LaCo₅, the same results including the cohesive energy curves and the crystallographic parameters can be retrieved after the action of the interatomic potentials. Received 1st November 2002 / Received in final form 17 February 2003 Published online 23 May 2003 RID="a" ID="a"e-mail: hchang@aphy.iphy.ac.cn     

Investigation of electrical resistivity and average magnetic moment per atom of Ni3(Fe,Ti) and Ni3(Mn,Ti) alloys

The electrical resistivity and average magnetic moment per atom of Ni₃(Fe, Ti) and Ni₃(Mn, Ti) alloys were measured. X-ray structural analysis revealed the presence of the Ni₃Ti phase in Ni₃(Fe+7% Ti) and Ni₃(Fe + 10.3% Ti), and strong interaction of Ni and Ti is deduced. The introduction of Ti into Ni₃Mn reduces the antiferromagnetic Mn-Mn interaction and thus leads to greater ordering.Deceased.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 5, pp. 9–12, May, 1981.     

Y2(Fe1-x-y,Coy,Crx)17化合 物的结构及居里温度

通过x射线衍射及磁测量手段研究了Y₂(Fe_1-y-x,Co_y,C r_x)₁₇化合物的结 构及居里温度.研究结果表明Y₂(Fe_1-y-x,Co_y,Crx)₁₇化合物具有六 角相的Th₂Ni₁₇型结构.随着x的增加，Y₂(Fe 关键词： 2(Fe_1-y-x')" href="#">Y₂(Fe_1-y-x y')" href="#">Co_y x)_{1 7}化合物')" href="#">Cr_x)_{1 7}化合物 x射线衍射 居里温度     

Ni3(Tix,V1-x)合金系中的长周期结构

本文利用电子衍射及高分辨点阵象实验方法证实了Ni₃(Ti_x,V_1-x)合金系在铸态下存在有9R,10H,16H,20H,21H,44H等长周期结构以及2H结构。它们与体心四方基体相(结构与Ni₃V相同)及六角基体相(结构与Ni₃Ti相同)有固定取向关系:{001}_长周期∥{001}_(Ni3Ti)∥{112}_{Ni3V);〈100〉长周期∥〈100〉(Ni3Ti)∥〈110〉(Ni3V)。样品经长期高温退火处理后其它长周期结构均向9R结构转变。 关键词：}     

The corrosion behavior of intermetallic compounds Ni3(Si,Ti) and Ni3(Si,Ti) + 2Mo in acidic solutions

The corrosion behavior of the intermetallic compounds homogenized, Ni₃(Si,Ti) (L1₂: single phase) and Ni₃(Si,Ti) + 2Mo (L1₂ and (L1₂ + Ni_ss) mixture region), has been investigated using an immersion test, electrochemical method and surface analytical method (SEM; scanning electron microscope and EPMA: electron probe microanalysis) in 0.5 kmol/m³ H₂SO₄ and 0.5 kmol/m³ HCl solutions at 303 K. In addition, the corrosion behavior of a solution annealed austenitic stainless steel type 304 was studied under the same experimental conditions as a reference. It was found that the intergranular attack was observed for Ni₃(Si,Ti) at an initial stage of the immersion test, but not Ni₃(Si,Ti) + 2Mo, while Ni₃(Si,Ti) + 2Mo had the preferential dissolution of L1₂ with a lower Mo concentration compared to (L1₂ + Ni_ss) mixture region. From the immersion test and polarization curves, Ni₃(Si,Ti) + 2Mo showed the lowest corrosion resistance in both solutions and Ni₃(Si,Ti) had the highest corrosion resistance in the HCl solution, but not in the H₂SO₄ solution. For instance, it was found that unlike type 304 stainless steel, these intermetallic compounds were difficult to form a stable passive film in the H₂SO₄ solution. The results obtained were explained in terms of boron segregation at grain boundaries, Mo enrichment and film stability (or strength).     

AC electroluminescence of ZnS: Cu,Cl, Mn thin films in the structure In2O3(Sn)-ZnS: Cu,Cl, Mn-SiOx-Al

AC electroluminescence of ZnS: Cu, Cl, Mn thin films in the structure In₂O₃(Sn) - ZnS: Cu, Cl, Mn-SiO_x Al was studied. Vacuum-evaporated films 0.5 to 2.0 μm thick, excited with sinusoidal voltage of 80–200 V and up to 2 kHz gave the luminance response fulfilling Alfrey-Taylor's relation. Thus the electroluminescence model, suggested by these authors for a ZnS monocrystal, can be applied also for ZnS thin films.     

Enhancement of initial permeability due to Mn substitution in polycrystalline Ni0.50−xMnxZn0.50Fe2O4

The structural and magnetic properties of Mn substituted Ni_0.50−xMn_xZn_0.50Fe₂O₄ (where x=0.00, 0.10 and 0.20) sintered at various temperatures have been investigated thoroughly. The lattice parameter, average grain size and initial permeability increase with Mn substitution. Both bulk density and initial permeability increase with increasing sintering temperature from 1250 to 1300 °C and above 1300 °C they decrease. The Ni_0.30Mn_0.20Zn_0.50Fe₂O₄ sintered at 1300 °C shows the highest relative quality factor and highest initial permeability among the studied samples. The initial permeability strongly depends on average grain size and intragranular porosity. From the magnetization as a function of applied magnetic field, M(H), it is clear that at room temperature all samples are in ferrimagnetic state. The number of Bohr magneton, n(μ_B), and Neel temperature, T_N, decrease with increasing Mn substitution. It is found that Mn substitution in Ni_0.50−xMn_xZn_0.50Fe₂O₄ (where x=0.20) decreases the Neel temperature by 25% but increases the initial permeability by 76%. Possible explanation for the observed characteristics of microstructure, initial permeability, DC magnetization and Neel temperature of the studied samples are discussed.     

Electrical properties and spin fluctuations studies of Y(Co1−xNix)2 compounds

Synthesis by arc melting, the structural and the electric properties of Y(Co_1−xNi_x)₂ alloys were studied by X-ray diffraction (XRD) and four probe dc electrical measurements. XRD analysis (300 K) shows that all samples crystallize in a cubic MgCu₂-type structure. The lattice parameters linearly decrease with Ni content. Electrical resistivity for the Y(Co_1−xNi_x)₂ intermetallic series was measured in a temperature range of 15-1100 K. The parameters involved in the dependence of resistivity on temperature were determined. Residual, phonon and spin fluctuations resistivity were separated from electrical resistivity using both the Matthiesen formula and the Bloch-Gruneisen formula. The spin fluctuations resistivity of the Y(Co_1−xNi_x)₂ series are compared to the mean square amplitudes of spin fluctuations previously calculated by the Linear Muffin Tin Orbital-Tight Binding Approach method for these series in the literature. The contribution of spin fluctuations to total resistivity ρ_sf is proportional to T² at low temperatures. The proportionality parameter strongly reduces across the Y(Co_1−xNi_x)₂ series.     

钙钛矿型稀土锰氧化物La2/3Ca1/3MnO3中Mn位的Ti替代效应

研究了钙钛矿型锰氧化物La_2/3Ca_1/3Mn_1-xTi_xO₃(0≤x≤0.3)的结构、磁性和输运性质.发现Ti替代Mn强烈地抑制了La_2/3Ca_1/3MnO₃的铁磁性和金属电导,并很大地提高了磁电阻值.在低掺杂情况下(x≤0.04),1%的Mn被Ti替代,居里温度T_C和金属-绝缘体转变温度T_p分别平均下降了31和26.5K.当x=0.06时,铁磁态过渡为团簇玻璃态,并在x=0.20时完全变为自旋玻璃态.指出由于Ti的掺入而引起的磁稀释作用以及局域晶格畸变是产生上述结果的主要原因. 关键词：     

The origin of magnetism in UNi2 — a simple band approach

The magnetization and susceptibility investigation of pseudo-binary U(Ni_1?xFe_x)₂ and U(Ni_1?xCu_x)₂ for chosen concentrations of x ? 0.1, x ? 0.8, and x ? 0.06, respectively, are presented. The most significant result is that the substitution of Ni (in UNi₂) by Fe reduces both the magnetic moment and the ordering temperature rapidly although it appears to be established that the magnetic moment of UFe₂ is predominantly residing on the Fe sites. The small concentration of Cu substituted into UNi₂, on the other hand, increases the magnetic moment. The obtained results are discussed together with those of U(Ni_1?xCo_x)₂ and seem to support the recently proposed explanation on the origin of magnetism in UNi₂.     

Synthesis and characterization of Ni1−xCoxFe2O4 nanoparticles

Ni_1−xCo_xFe₂O₄ (x=0.6, 0.8 and 0.9) nanoparticles have been synthesized with various crystallite sizes depending on the thermal treatments and composition (cobalt content) using the sol-gel combustion method. The size of nanoparticles has been controlled by thermal treatment. On the other hand, the magnetic property of the ferrite has been controlled by changing the heat treatment. Morphology and particle sizes of Ni_1−xCo_xFe₂O₄ have been studied using atomic force microscopy (AFM) and transmission electron microscopy (TEM). The presence of functional group has been identified by Fourier Transform Infrared (FTIR) spectra. From TGA-DTA studies, the weight gains of Ni_1−xCo_xFe₂O₄ nanoparticles have been observed and it might be due to capping organic molecules with oxygen at temperatures above 200 °C. Magnetic properties of Ni_1−xCo_xFe₂O₄ particles have been analysed using VSM and it is found that saturation magnetization (M_s) has increased with particle size and has coercivity (H_c) increased initially and then decreased. The M_s and H_c values decreased with the increase of content of cobalt in Ni_1−xCo_xFe₂O₄.     

Optical,magneto-optical and mössbauer spectroscopy on Co3+ substituted cobalt ferrite Co2+Fe2−xCo3+xO4(0 ⩽ x ⩽ 2)

The magneto-optical spectra of Co_1+xFe_2?xO₄ show with increasing Co³⁺ content an increasing intensity of the 4A₂ ? 4T₁(F) and 4A₂ ? 4T₁(P) transition of Co²⁺ at 0.8 and 2.0 eV. A decrease in the Co²⁺-Fe³⁺ charge transfer transitions on octahedral sites is found. In the optical spectra a strong increase in optical absorption is found with dominant transitions at 0.8, 1.6 and 2.6 eV due to Co³⁺ crystal field transitions on octahedral sites and a Co²⁺-Co³⁺ charge transfer. Conversion Electron Mössbauer Spectroscopy has been used to determine the cation distribution in the surface layer of the samples. The results indicate a shift of Co²⁺ from octahedral to tetrahedral sites when Co³⁺ is substituted in CoFe₂O₄. This results in enhanced optical absorption, enhanced magneto-optical effects and a lower Curie temperature.     

Investigations of Sm6(Mn1-xFex)23 system

The new Sm₆(Mn_1-xFe_x)₂₃(0?x?1.0) system hasbeen synthesized and investigated in a wide temperature range by the X-ray, magnetometric and Mössbauer effect methods. The X-ray studies show that the system forms solid solutions which are isostructural with the Th₆Mn₂₃ type crystal structure throughout the entire compositional range. Both Fe-rich and Mn-rich regions of the system are magnetically ordered and are separated from each other by the non-magnetically ordered 0.22?x?0.33 region. The substitution of Fe atoms for Mn atoms in the Mn-rivh region and similarly of Mn atoms for Fe atoms in the Fe-rich region decreases both the Curie temperature and the value of the magnetic moment per molecule. The temperature dependence of the reciprocal susceptibility obeys the Néel law. The Mössbauer absorption spectra reflect wide distributions of the ⁵⁷Fe hyperfine interaction parameters, and disappearance of long range magnetic coupling of Fe atoms in the magnetically ordered x=0 to 0.22 composition range.     

First-principles study of disordering tendencies in Gd2B2O7（B=Ti,Sn,Zr） compounds

This paper performs the density functional theory calculations to obtain some factors influencing the response of pyrochlores Gd2B2O7(B = Ti,Sn,Zr) to ion irradiation-induced amorphization.The 48f oxygen position parameter x,cohesive energy,bond type and defect-formation energy are discussed.The results show that parameter x can be used to indicate the disordering tendencies within a given pyrochlore family.Bond type,cohesive energy and defect-formation energies can be used to explain some experimental observations,but they are not determined exclusively by radiation "resistance" for a different pyrochlore family.