Electronic structure of Y and Pr in Laves phases with Mg, Al, Fe, Co, and Ni

The electronic structure (population of the valence d and s shells) of Y and Pr in the RM₂ Laves phases with Mg, Al, Fe, Co, and Ni has been determined experimentally by the x-ray K-line shift method. It was found that the Y and Pr electronic structures in RM₂ with Mg and Al are practically the same as in metals, but the distribution of the three outer electrons between the d and s shells in Y is essentially different from that in Pr. In the Laves phases with 3d metals (Fe, Co, or Ni), the outer-electron distributions between the d and s shells in Y and Pr are practically identical and do not depend on the d metal. Fiz. Tverd. Tela (St. Petersburg) 41, 1721–1723 (October 1999)     

Low-temperature anomaly of the magnetization in alloys (Pr,Dy,<Emphasis Type="Italic">M</Emphasis>)<Subscript>2</Subscript>(Fe,Co)<Subscript>14</Subscript>B (<Emphasis Type="Italic">M</Emphasis> = Gd,Sm, Nd)

It has been found that temperature dependences of the saturation magnetization of sintered hard magnetic (Pr,Dy,M)₂(Fe,Co)₁₄B (M = Gd, Sm, Nd) alloys demonstrate an increase at a temperature lower than a critical temperature (150 K for Sm and Nd and 70 K for Gd). An additive of copper does not influence the critical temperature. It has been assumed that there is a low-temperature phase in which cobalt is replaced with boron that diffuses from the (Pr,Dy,Gd)(Fe,Co)₄B phase to the near-surface region of grains of the main magnetic (Pr,Dy,Gd)₂(Fe,Co)₁₄B phase.     

非晶态RE—TM(RE=Nd,Pr,TM=Fe,Co,Ni)薄膜的磁性和Pr的变价行为

本文通过对非晶态轻稀土Pr,Nd和过渡族金属Fe,Co,Ni薄膜合金的低温磁性研究,分别得到了(Pr,Nd)_x-(Fe,Co,Ni)_1-x合金中Pr,Nd和Fe,Co,Ni金属磁矩随成份x的变化,并且通过对磁矩的研究得到Pr离子的4f电子可能有退局域化的结论。 关键词：     

Preparation and magnetic properties of anisotropic (Sm,Pr)Co5/Co composite particles

Anisotropic (Sm,Pr)Co₅/Co nanocomposite particles have been fabricated by chemical coating the 2 h ball milled (Sm,Pr)Co₅ flakes with Co nanoparticles. The Co nanoparticles were synthesized with mean particle sizes in the range of 20-50 nm. The nanocomposite particles present [0 0 1] out-of-plane texture and improved magnetic properties, e.g., an enhanced remanent magnetization of 72 emu/g for (Sm,Pr)Co₅/Co and 66 emu/g for (Sm,Pr)Co₅. In addition, by using the 8 h ball milled powders (much smaller than the 2 h ball milled powders) as the starting materials, Co nanoparticles can also be successfully coated on the surface of the flakes. A plausible mechanism for the formation of Co nanoparticles on the surface of (Sm,Pr)Co₅ flakes is discussed.     

Spontaneous Magnetization Loss Dynamics of (Pr,Dy)–(Fe,Co)–B Magnets

Technical Physics - Comparison of spontaneous magnetization losses in (Pr0.51Dy0.49)13(Fe0.64Co0.36)80B7 and (Pr0.51Dy0.49)13(Fe0.64Co0.36)79Cu1B at % sintered magnets shows that copper doping...     

永磁性Pr55Al12Fe30Cu3 大块金属玻璃

报道一个新的Pr55Al12Fe30Cu3 大块金属玻璃.采用铜模吸铸法制备了直径为5 mm、长度达100 mm的Pr55Al12Fe30Cu3 大块金属玻璃.差示扫描量热分析结果表明在该Pr基大块金属玻璃体系具有宽达64 K左右的过冷液相区，而且该合金呈非晶态时的熔化温度要比相应晶态样品的熔化温度高约140 K.磁滞回线测量表明非晶态Pr55Al12Fe30Cu3 块体合金在室温下呈现永磁特性，而完全晶化后样品在室温下呈现软磁特性. 关键词： 大块金属玻璃 玻璃转变 晶化 永磁性     

Magnetic properties and magnetic entropy changes of MRE_2Co_7 compounds

(La0.5Ce0.5)2Co7 and(Ce0.65Pr0.35)2Co7 compounds for magnetic refrigeration were studied by X-ray diffraction, ac susceptibility and isothermal magnetization measurements. X-ray powder diffraction shows that all the compounds have hexagonal Ce2Ni7-type structure. The Curie temperatures(TC) are 258 K and 222 K for(La0.5Ce0.5)2Co7 and(Ce0.65Pr0.35)2Co7 compounds, respectively. High coercivities(HC) of about 1.74 and 6.61 k Oe at 5 K with a smooth demagnetization curves were obtained for the(La0.5Ce0.5)2Co7 and(Ce0.65Pr0.35)2Co7 compounds, respectively. For an applied field change from 0 to 50 k Oe, the maximum(??SM) for(La0.5Ce0.5)2Co7 and(Ce0.65Pr0.35)2Co7 compounds are 0.52 and 0.67 J/(kg K), respectively.     

Electronic structure and magnetic properties of RCo5−xMx (R=Y,Pr and M=Al,Si) system

Detailed theoretical and experimental investigations of the electronic and magnetic properties of the RCo_5?xM_x compounds (R=Y, Pr and M=Si, Al) have been performed. All theoretical investigations of the electronic and magnetic properties of the system have been done using the Korringa–Kohn–Rostoker (KKR) band structure method. The Si for Co substitution in RCo₅ does not change the magnetic ordering: the RCo_5?xSi_x with R=Y, Nd and Pr is ferromagnetic, whilst the heavy rare-earth containing compounds are ferrimagnetic. The important modifications induced by this substitution concerns the magnetic properties of the system: the Curie temperature and the magnetic moments of Co decrease with Si content, indicating the weakening of the Co–Co exchange interaction. The band structure calculations evidence the hybridization between the 3d electronic states of Co and the 3p states of Si as possible reason for the diminishing of Co–Co exchange interaction. Also, the volume effect on the magnetic properties of the YCo₄Si was investigated using theoretical methods. The results are compared with the experimental measurements in order to distinguish the origin of magnetization reduction in YCo₄Si compared with YCo₄Al.     

A first-principles study of B2 NiAl alloyed with rare earth elements Pr,Pm,Sm,and Eu

The structural,elastic,and electronic properties of NiAl alloyed with rare earth elements Pr,Pm,Sm,and Eu are investigated by using density functional theory(DFT).The study suggests that Pr,Pm,Sm,and Eu all tend to be substituted for an Al site.Ni8Al7Pm possesses the largest ductility.Only the hardness and ductility of Ni8Al7Eu are enhanced simultaneously.The covalency strength of the Ni-Al bond in Ni8Al7Pm is higher than that in Ni8Al7Eu.The covalency strength of an Al-Al bond and that of a Ni-Ni bond in Ni8Al7Eu are higher than that in Ni8Al7Pm.The Ni-Pm bond and the Ni-Eu bond are covalent,and the covalency strength of the Ni-Pm bond is greater.The Al-Pm bond and the Al-Eu bond show great covalency strength and ionicity,respectively.     

Using elemental profiles and stable isotopes to trace the origin of green coffee beans on the global market

A broad elemental profile incorporating 54 elements (Li, Be, B, Na, Mg, Al, P, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Rb, Sr, Y, Mo, Pd, Ag, Cd, Sn, Sb, Te, Cs, Ba, La, Ce, Pr, Nd, Sm, Eu, Gd, Dy, Er, Tm, Yb, Re, Ir, Pt, Au, Hg, Tl, Pb, Bi and U) in combination with δ(2) H, δ(13) C, δ(15) N and δ(18) O was used to characterise the composition of 62 green arabica (Coffea arabica) and robusta (Coffea canephora) coffee beans grown in South and Central America, Africa and Asia, the four most internationally renowned areas of production. The δ(2) H, Mg, Fe, Co and Ni content made it possible to correctly assign 95% of green coffee beans to the appropriate variety. Canonical discriminant analysis, performed using δ(13) C, δ(15) N, δ(18) O, Li, Mg, P, K, Mn, Co, Cu, Se, Y, Mo, Cd, La and Ce correctly traced the origin of 98% of coffee beans. Copyright ? 2012 John Wiley & Sons, Ltd.     

A study of magnetostriction,spin reorientation,and Mssbauer spectra of Tb_(0.3)Dy_(0.6)Pr_(0.1)(Fe_(1-x)Al_x)1.95 alloys with substitution of Fe by Al

The effects of Al substitution for Fe on the structure, magnetics, magnetostriction, anisotropy and spin reorientation of a series of Tb0.3Dy0.6Pr0.1(Fe1-xAlx)1.95 alloys (x=0.05, 0.1, 0.15, 0.2, 0.25, 0.3) at room temperature have been investigated. The alloys of Tb0.3Dy0.6Pr0.1(Fe1-xAlx)1.95 substantially retain MgCu2-type C-15 cubic Laves phase structure when x0.2. The mixed phases appear with x = 0.2, and cubic Laves phase decreases with increasing x. The magnetostriction of the Tb0.3Dy0.6Pr0.1(Fe1-xAlx)1.95 alloys decreases drastically with increasing x and the giant magnetostrictive effect disappears for x 0.15. Fortunately, a small amount of Al substitution is beneficial to a decrease in the magnetocrystalline anisotropy. The spin reorientation temperature decreases with increasing x. 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 with the increase of Al concentration x, namely, spin reorientation, resulting in the change of macroscopical magnetic properties and magnetostriction. The hyperfine field decreases, but the isomer shifts increases with Al concentration increasing and the quadruple splitting QS shows a weak concentration dependence.     

熔体快淬Pr(Fe1-xCox)2合金的结构和磁性

通过熔体快淬方法获得Pr(Fe_1-xCo_x)₂合金条带,经过X射线衍射、差示扫描量热计和磁性测量对其结构、磁性和热稳定性进行了研究.发现当Co的含量x大于0.2时才可能获得Pr(Fe,Co)₂立方Laves相化合物.对Pr(Fe_0.6Co_0.4)₂合金,在快淬速度为30m/s时,条带由Pr₂(Fe,Co)₁₇,Pr(Fe,Co)₂和富稀土相组成;在速度为40m/s时,获得了几乎单相的Pr(Fe_0.6Co_0.4)₂化合物,其居里温度为305℃;在速度为45m/s时,除了Pr(Fe_0.6Co_0.4)₂化合物外,还存在少量的非晶相.Pr(Fe_0.6Co_0.4)₂化合物在770℃以上发生分解.用40m/s快淬纳米晶粉胶粘磁体有大的磁致伸缩系数（λ_∥-λ_⊥=140×10^-6)和高的硬磁性能（_iH_c=398kA/m). 关键词：     

Cr、Mn、Co、Ni掺杂对Al13Fe4相稳定性和力学性能影响的第一性原理研

采用基于密度泛函理论的第一性原理计算方法,系统地研究了不同掺杂浓度下过渡族元素Cr、Mn、Co、Ni在Al13Fe4相中的占位情况、结构稳定性和机械性能. 计算得到所有的Al13(Fe24-xMx) (M=Cr、Mn、Co、Ni;X=1,2,4)相都具有良好的热力学稳定性和机械稳定性. 相同掺杂浓度化合物的形成焓按如下顺序减小：Al78(Fe24-xCrx) > Al78(Fe24-xMnx) > Al13Fe4 > Al78(Fe24-xNix) > Al78(Fe24-xCox).形成焓的降低增加了Al13Fe4相成核驱动力,Co和Ni有利于促进Al-Fe合金中Al13Fe4相形核,细化Al13Fe4相. 过渡族元素可以改善金属间化合物的脆性,增强塑性变形能力. 并且随着掺杂浓度的增加,过渡族元素的加入对脆性的改善呈先增大后减小的趋势.     

Tb0.3Dy0.7(Fe0.9T0.1)1.95合金的结构、自旋重取向和穆斯堡尔谱

系统研究了室温下Tb_0.3Dy_0.7(Fe_0.9T_0.1)_1.95(过渡金属元素T=Mn，Fe，Co，B，Al，Ga)合金中ⅢA族金属和过渡金属元素T替代Fe对结构、自旋重取向和穆斯堡尔谱的影响.结果发现，不同金属T替代Fe，Tb_0.3Dy_0.7(Fe_0.9T_0.1)_1.95，合金具有相同的MgCu₂型立方Laves相结构；Al，Ga替代使Tb_0.3Dy_0.7(Fe_0.9T_0.1)_1.95合金的易磁化方向在{110}面逐渐偏离了立方晶体的主对称轴，即自旋重取向，B，Mn，Co替代未使易磁化轴发生明显转动；Al，Ga元素替代使超精细场H_hf略有下降，B，Mn替代对超精细场H_hf的影响不大，而Co元素替代使超精细场H_hf有较大增加；所有元素替代使同质异能移IS有所增加；B，Al，Ga和Mn替代使四极劈裂Q_s增加，而Co替代使四极劈裂Q_s下降. 关键词： 立方Laves相 自旋重取向 穆斯堡尔谱     

Mg2+、Al3+离子增强SrTiO3∶Pr3+荧光体发光性能的研究

采用溶胶凝胶法成功制备了SrTiO3∶Pr3+、SrTiO3∶Pr3+, Mg2+ 及SrTiO3∶Pr3+, Al3+荧光粉.通过XRD、PL谱及第一性原理计算对样品的晶体结构、光谱特性及发光增强机制进行了研究.研究结果表明：共掺杂后,SrTiO3∶Pr3+荧光粉为单一组成的SrTiO3立方相,主发射锋位于617 nm, 对应于Pr3+离子的1D2→3H4跃迁发射.SrTiO3∶Pr3+, Mg2+ 及SrTiO3∶Pr3+, Al3+荧光粉的发光强度分别是SrTiO3∶Pr3+荧光粉发光强度的7倍和2倍,但主要发光机制没有改变.Mulliken布局分析表明,Mg2+、Al3+离子的掺入使SrTiO3∶Pr3+荧光粉中Ti-O及Pr-O键的化学键增强、键长变短,SrTiO3∶Pr3+基质向Pr3+离子发光中心的能量传递效率提高,导致SrTiO3∶Pr3+, Mg2+ 及SrTiO3∶Pr3+, Al3+荧光粉的发光效率提高.     

Elastic moduli of nanocrystalline binary Al alloys with Fe,Co, Ti,Mg and Pb alloying elements

The paper studies the elastic moduli of nanocrystalline (NC) Al and NC binary Al–X alloys (X is Fe, Co, Ti, Mg or Pb) by using molecular dynamics simulations. X atoms in the alloys are either segregated to grain boundaries (GBs) or distributed randomly as in disordered solid solution. At 0 K, the rigidity of the alloys increases with decrease in atomic radii of the alloying elements. An addition of Fe, Co or Ti to the NC Al leads to increase in the Young’s E and shear μ moduli, while an alloying with Pb decreases them. The elastic moduli of the alloys depend on a distribution of the alloying elements. The alloys with the random distribution of Fe or Ti demonstrate larger E and μ than those for the corresponding alloys with GB segregations, while the rigidity of the Al–Co alloy is higher for the case of the GB segregations. The moduli E and μ for polycrystalline aggregates of Al and Al–X alloys with randomly distributed X atoms are estimated based on the elastic constants of corresponding single-crystals according to the Voigt-Reuss-Hill approximation, which neglects the contribution of GBs to the rigidity. The results show that GBs in NC materials noticeably reduce their rigidity. Furthermore, the temperature dependence of μ for the NC Al–X alloys is analyzed. Only the Al–Co alloy with GB segregations shows the decrease in μ to the lowest extent in the temperature range of 0–600 K in comparison with the NC pure Al.     

Half-life measurements in59Co,141Pr and227Ac

The half-lives of the 1291.6 keV level in⁵⁹Co, 145.43 keV level in¹⁴¹Pr and 27.35 keV level in²²⁷Ac have been measured using leading edge and zero-crossover timing techniques. The decay curves analysed by moments, Laplace transform and slope methods gave the following half-life values: $$\begin{gathered} T_{\tfrac{1}{2}} (1291.6 keV level in {}^{59}Co) = (0.538 \pm 0.004) ns \hfill \\ T_{\tfrac{1}{2}} (145.43 keV level in {}^{141}\Pr ) = (1.82 \pm 0.04) ns \hfill \\ T_{\tfrac{1}{2}} (27.35 keV level in {}^{227}Ac) = (41.0 \pm 1.1) ns. \hfill \\ \end{gathered} $$ From the measured half-lives, the reduced transition probabilitiesB(M1)↓,B(E2)↓ for gamma transitions de-exciting the above mentioned levels in⁵⁹Co and¹⁴¹Pr are determined and compared with single particle, intermediate coupling and Sorensen estimates. In²²⁷Ac, absolute transition probability for the 27.35 keV transition is determined and compared with single particle and Nilsson estimates.     

Ab initio molecular dynamics study on the local structures in Ce_(70)Al_(30) and La_(70)Al_(30) metallic glasses

Ab initio molecular dynamics simulations were performed to investigate the effect of similar elements on the shortto medium-range atomic packing features in Ce_(70)Al_(30) and La_(70)Al_(30) glass-forming alloys. 4 f electrons of Ce element in Ce_(70)Al_(30) alloy were properly treated in electronic calculations. The local atomic structures in both alloys are qualitatively similar. However, the local environments of Al atoms in Ce_(70)Al_(30) alloy show fluctuation with temperature in the cooling process, which could result from 4 f electrons of Ce elements. Surprisingly, the medium-range atomic packing features of Al atoms in both MGs are quite different, although Ce and La elements are similar. These findings are useful for understanding the enhanced glass-forming ability by similar element substitution in RE-based MGs from a medium-range structure perspective.     

Quasicrystalline epitaxial single element monolayers on icosahedral Al-pd-mn and decagonal Al-ni-co quasicrystal surfaces

Single element quasicrystalline monolayers were prepared by deposition of antimony and bismuth on the fivefold surface of icosahedral Al71.5Pd21Mn8.5 and the tenfold surface of decagonal Al71.8Ni14.8Co13.4. Elastic helium atom scattering and low energy electron diffraction of the monolayers show Bragg peaks at the bulk derived positions of the clean surfaces, revealing highly ordered quasicrystalline epitaxial films. Their adatom densities of (0.9+/-0.2)x10(15) cm(-2) and (0.8+/-0.2)x10(15) cm(-2) on Al-Pd-Mn and Al-Ni-Co, respectively, correspond to roughly one adatom per Al atom of the quasicrystalline substrate surfaces.     

Changes of microstructure and magnetic properties of Nd-Fe-B sintered magnets by doping Al-Cu

The microstructural and magnetic properties of Al_100−xCu_x (15at%≤x≤45 at%) doped Nd-Fe-B magnets were studied. The distribution and alloying effects of Cu or Al on the intergranular microstructure were investigated by thermodynamic analysis, differential scanning calorimetery and microscopy techniques. It was observed that when the Cu content of Al_100xCu_x exceeds to 25 at%, the (Pr, Nd)Cu and CuAl₂ phases form in these magnets. The formation of (Pr, Nd)Cu phase depends on the negative formation enthalpy of (Pr, Nd)Cu and the exclusive distribution of Cu in the intergranular regions. The eutectic reaction between (Pr, Nd)Cu phase and (Pr, Nd) occurs at 480 °C, which forms the liquid phase that dissolves the (Pr, Nd)₂Fe₁₄B surface irregularities and thus increases the quantities of (Pr, Nd)-rich phase at the grain boundaries. These changes benefit the grain boundary microstructure, especially the distribution of (Pr, Nd)-rich phase, which effectively improves the intrinsic coercivity _iH_c due to the decreases of exchange coupling between the (Pr, Nd)₂Fe₁₄B grains.