Measurement of X-ray production cross-sections of Ti,V, Cr,Mn, Fe,Co, Ni and Cu molecules

K shell X-ray production cross-sections in the Ti, V, Cr, Mn, Fe, Co, Ni, and Cu in the molecules were studied at 59.5 keV excitation energy by using a Si(Li) detector ( FWHM = 155 eV at 5.96 keV). The present results are compared with other theoretical values.     

Interpretation of 3p-core-excitation spectra in Cr,Mn, Fe,Co, and Ni

Recent measurements of the 3p-core-excitation spectra of Cr, Mn, Fe, Co, and Ni are interpreted with an atomic model. The dispersion like line shape observed in these metals is attributed to the interference of 3p⁶3d^N → 3p⁵3d^N+1, which decays to 3p⁶3d^N?1?f via a super Coster-Kronig transition, with the direct excitation of 3p⁶3d^N → 3p⁶3d^N?1?f. The overall width of the line and some weaker features associated with it are related to the multiplet splittings of 3p⁵3d^N+1. The more symmetric line shape found for Cr, which is thought to be due to the absence of a large local moment, is explained in terms of the greater number of multiplets that contribute for a small moment ($\text{S=}\text{1}\text{2}$) as compared to a large moment ($\text{S=}\text{5}\text{2}$).     

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...     

Thermal Expansion of Co2MAl (M = Ti,V, Cr,Mn, Fe,Ni) Band Ferromagnets

Physics of the Solid State - The thermal expansion coefficient (TEC) of Co2MAl (M = Ti, V, Cr, Mn, Fe, Ni) band ferromagnets is measured in the temperature interval of 80–900 K. The...     

便携式全反射X荧光同时测定清洁水体中多种元素

应用便携式全反射X射线荧光分析仪,以Sc作内标,同时测定清洁水体中的Cu、Zn、Cr、Fe、Mn、Co、Ni,在X射线管电压30kV,管电流200μA,测定时间100s的条件下,运用点滴支持工具,方法检出限为3.1-5.1μg/L.地表水水样分析结果与ICP-Ms法相符,精密度较好,加标回收率在95％-123％之间.     

Chemical effect on the K shell fluorescence yield of Fe, Mn, Co, Cr and Cu compounds

Chemical effects on the K shell fluorescence yields of Fe, Mn, Co, Cr and Cu compounds were investigated. Samples were excited using 59.5 keV energy photons from a²⁴¹ Am radioisotope source. K X-rays emitted by samples were counted by a Si(Li) detector with a resolution 160 eV at 5.9 keV. Chemical effects on the K shell fluorescence yields (ωk) for Fe, Mn, Co, Cr and Cu compounds were observed. The values are compared with theoretical, semiempirical fit and experimental ones for the pure elements.     

All-electron relativistic calculation on Au5X (X = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn) clusters

All-electron scalar relativistic calculations on Au₅X (X = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn) clusters have been performed by using density functional theory with the generalized gradient approximation. Our calculation results indicate that all the lowest energy geometries of Au₅X clusters have planar structures; the doped X atoms prefer to occupy the fourfold coordination site. Except Au₅Fe, Au₅Co and Au₅Zn, for other clusters including pure Au₆ cluster, the HOMO are delocalized obviously with a contribution from all atoms in the cluster. On the contrary, the electron localization in Au₅Zn is very strong resulting in the least stability of this cluster. Au₅Cu cluster with six delocalized electrons being defined as magic number for two-dimensional system has the largest VIP and deepest HOMO energy level. With the substitution Au for X atoms, the metallicity of all Au₅X clusters is reinforced.     

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.     

Optical properties of N and transition metal R (R=V,Cr, Mn,Fe, Co,Ni, Cu,and Zn) codoped anatase TiO2

The electronic structures, deformation charge density, dipole moment and optical properties of N and transition metal R (R=V, Cr, Mn, Fe, Co, Ni, Cu and Zn) codoped anatase TiO₂ are studied using the plane-wave ultrasoft pseudopotential method of density functional theory (DFT). The results exhibit that the absorption coefficients of the N+Cr-doped TiO₂ are in accordance with the experimental values in the visible-light region. The calculated results reveal that the N+R-doped TiO₂ is helpful for enhancing the absorption coefficient in the visible-light region; especially, among the eight materials, N+Mn-doped TiO₂ has the largest value of absorption coefficient in the visible-light region. The ionic bonding and Jahn–Teller distortion would contribute to increase the photocatalytic activity of TiO₂ in the visible-light region. All in all, for doped TiO₂, the large dipole moment of TiO₆ octahedron can enhance the optical responses in the visible-light region; in this work, however, it is found that the small dipole moment of TiO₆ octahedron would increase the absorption coefficient in the visible-light region.     

Large magnetothermoelectric power in Co/Cu, Fe/Cu and Fe/Cr multilayers

We report and discuss experimental data on the thermoelectric power of magnetic multilayers. Measurements of the thermoelectric power of Fe/Cr, Co/Cu and Fe/Cu multilayers have been carried out in the temperature range 4K < T < 150 K magnetic fields perpendicular to the layers. All specimens were found to exhibit pronounced magnetothermoelectric power (MTEP) effects correlating with their giant negative magnetoresistance. The main difference between the MTEP and the magnetoresistance is in their temperature dependence. Whereas the magnetoresistance is a decreasing function of temperature, the MTEP, at least in Co/Cu and Fe/Cu multilayers, is very small at low temperature and increases rapidly above 30–40 K. We ascribe this high temperature part of the MTEP to spin-dependent electron-magnon scattering and we propose a theoretical model.     

Element- and size-dependent electron delocalization in AuNX+ clusters (X = Sc,Ti, V,Cr, Mn,Fe, Co,Ni)

We investigated the stability of gold clusters doped with open 3d-shell atoms (Sc, Ti, V, Cr, Mn, Fe, Co, Ni). Steps, peaks, and odd-even staggering in mass abundance spectra upon photofragmentation provide evidence for enhanced stability for specific cluster sizes. The observed magic numbers are explained in terms of size- and dopant-dependent modifications of the effective mean-field potential within a phenomenological shell-model approach. Element-dependent 3d electron delocalization and odd-even staggering amplitudes are related to the dopant-atom structure.     

Atom-solid 3p level binding energy shift of transition metals Cr,Mn, Fe,Co, and Ni

Binding energy shifts between atomic and solid phases for transition metals Cr, Mn, Fe, Co, and Ni have been obtained for 3p subshells from simultaneously recorded atomic vapor and solid state spectra. This experimental technique provides higher accuracy in comparison to separate measurements and allows direct determination of the shifts. The observed shift values are compared to values obtained using the semiempirical Born–Haber cycle method and the peak structures of the solid state photoelectron spectra are compared to atomic 3p spectra. The binding energy shift of Cr is found to be much smaller than that of the other studied elements.     

Beta decay of nuclide 56Fe,56Co,56Ni,56Mn,56Cr and 56V due to strong electron screening in stellar interiors

According to a new electron screening theory,we discuss the beta decay rates of nuclide 56Fe,56Co,56Ni,56Mn,56Cr and 56V with and without strong electron screening (SES).The results show that SES has only a slight effect on the beta decay rates for ρ/μe 108 g/cm3.However the beta decay rates would be influenced greatly for ρ/μe 108 g/cm3.Due to SES,the maximum values of the C-factor (in %) on beta decay rates of 56Fe,56Co,56Ni,56Mn,56Cr and 56V is of the order of 95.03%,35.02%,98.05%,80.33%,98.30% and 98.71% at T9 = 4.0 and 98.83%,98.89%,99.65%,10.32%,4.10% and 40.21% at T9 = 7.0,respectively.     

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.     

M@C_(20)H_(20)(M=Sc,V,Cr,Mn,Fe,Co,Ni)几何结构和电子性质的理论研究

采用密度泛函理论(DFT)中的广义梯度近似(GGA)方法对M@C_(20)H_(20)(M=Sc,V,Cr,Mn,Fe,Co,Ni)几何结构和电子性质进行了计算研究.几何结构优化发现,过渡金属原子M内掺到C_(20)H_(20)笼时,都稳定于碳笼中心.能隙和内掺能计算发现,M@C_(20)H_(20)的热力学稳定性随着M原子序数的增大而逐渐减弱,内掺M原子使得其动力学稳定性大幅度下降,但是其中Ni@C_(20)H_(20)结构仍然具有良好的热力学和动力学稳定性,其有望在实验中被成功合成出来.电子性质研究发现,随着M原子序数的逐渐增大,M原子对M@C_(20)H_(20)前线轨道的贡献也越来越大,M@C_(20)H_(20)(M=Sc,V,Cr,Mn,Fe,Co)都具有一定的磁矩,而Ni@C_(20)H_(20)为闭壳层结构,磁矩为零.     

生物制剂胸腺肽和转移因子中Zn,Cu,Fe,Mn,Co,Ni的含量分析

胸腺肽和转移因子是临床上常用的两种生物制剂 ,该制剂具有增强机体免疫功能的作用 ,用以治疗免疫缺陷或免疫功能低下、病毒或真菌引起的传染病等。为了探讨微量元素含量与相关疾病之间的关系 ,配合临床上合理使用该种制剂 ,提供生产该类制剂所需此方面的参考数据 ,作者采用原子吸收方法直接检测胸腺肽和转移因子两种生物制剂中Zn ,Cu ,Fe ,Mn ,Co ,Ni六种微量元素的含量。并通过统计学的方法 ,对检测出的各元素含量进行了相关比较。比较结果 :Zn ,Co含量 ,胸腺肽低于转移因子 ;Cu ,Fe,Mn ,Ni含量 ,胸腺肽高于转移因子。两种制剂间 ,Zn ,Cu ,Mn ,Co差异非常显著 (P <0 0 1) ,Fe ,Ni差异显著 (P <0 0 5 )。此结论为临床合理使用生物制剂增强免疫功能 ,在增加或减少制剂中某种微量元素含量方面 ,提供了有用的参考数据。