A giant enhancement of magnetic moment in a ternary three-shell icosahedral cluster: Fe@Mn12@Au20

ABSTRACT

The average magnetic moment per atom of Mn₁₃ cluster is expected to be enhanced by doping or coating with a shell. Several ternary core–shell icosahedral clusters TM@Mn₁₂@Au₂₀ were constructed by combining substituting the central Mn with VIII elements (Fe, Co, Ni, Ru, Rh, Pd and Pt) and coating with a icosahedral Au₂₀ shell, and systematically studied by using the first-principles density functional method. Compared to Mn₁₃, Fe@Mn₁₂@Au₂₀ cluster shows a giant enhancement on total magnetic moment (52?µ_B) which can be greatly attributed to the ferromagnetic coupling between spin moments of atoms. Coating with Au₂₀ shell enlarged the average distances of TM-Mn and Mn-Mn and is a useful way to change the magnetic coupling style. By analysis of density of states and electron localisation functional, we can conclude that the weak hybridisation between Fe and Mn in Fe@Mn₁₂@Au₂₀ is propitious to maintain their original direction of spin moments of atoms and then form ferromagnetic coupling.     

A polarised neutron study of magnetic moment density in Cu2MnAl

A polarised neutron study of the ferromagnetic Heusler alloy Cu₂Mn_0.863Al_1.057 has been made. It has been concluded that the magnetic moment density is primarily situated on the Mn ions. On assigning the Mn-moment value, the observed magnetic form factor is found to be in good agreement with the Mn²⁺ free ion form factor calculated by Watson and Freeman. A slight asphericity has been observed in the moment density. It is estimated that there are about 3% excess 3d-electrons in the Eg states compared to spherical distribution. There is evidence of a very small positive polarisation of the Cu atoms. No appreciable conduction electron polarisation is found.     

Dielectric investigation of relaxation in some heterocyclic compounds

The dielectric relaxation mechanism in five heterocyclic compounds in dilute solutions using microwave technique is reported. Measurements have been made at different temperatures in order to calculate dipole moments and free energies of activation for the process of dipole orientation and viscous flow. It has been observed that the relaxation time is very closely related with the molecular parameters, such as size, shape and nature of the solute molecule.     

Some neutral current effects in an SU(3)×U(1) gauge model

The anomalous magnetic moment of muon is calculated in anSU(3)×U(1) gauge model proposed by Gupta and Mani. We find the contribution due to the intermediate gauge bosons to be of the same order of magnitude as in Weinberg. Salam model. The deep-inelastic structure functions are also analysed in the same model and inequalities for the structure functions are obtained in the light-cone algebra approach.     

New studies of X-ray diffraction line profiles from aggregates of distorted crystallites I

The fourth central moment of an X-ray diffraction profile from an aggregate of distorted crystallites has been expressed by Mitra (1964a) as a function of the crystallite size, strain and strain gradients in the specimen. While the usual methods of line profile analysis yield information regarding either the apparent strain or the rms strain, the present study provides additional information regarding strain distribution in the form of strain derivatives and rms displacements of atoms over a given distancet in the direction of study. The strain parameters like 〈ee′〉, 〈ee″〉 have been obtained from fourth moment of the strain profile against range plots. The strain parameters thus obtained have subsequently been used to determine the rms displacements of the atoms. Alloys of copper and zinc at different stages of cold working and annealing have been studied by this method. The results have been discussed in the light of dislocation distribution, polygonisation and grain growth as well as distortion waves in the distorted crystals.     

强磁场中氢原子的能级结构

发展了一套简单高效的非微扰理论方法研究强磁场中的原子能级结构.作为例子,给出了磁场强度从0到1000个原子单位,氢原子基态和低激发态的结合能以及四极矩等重要原子能级结构参数.结果表明:相对于其他的高精度计算方法,该方法不仅能计算出高精度的能级位置而且可方便给出精确的电子波函数.此外,该法还具有很强的普适性,可直接推广到原子与任意方向的交叉电磁场相互作用的研究. 关键词： 强磁场 CWDVR谱方法 氢原子能级结构 四极矩     

19F+27Al耗散反应中双核系统的转动与形变

测量了¹⁹F+²⁷Al耗散反应产物B,C,N,O,F和Ne的激发函数,入射束流的能量从110.25MeV到118.75MeV, 能量步长为250keV. 从产物的 能量自关联函数中提取了反应中所形成的中间双核系统的转动惯量, 与相粘模型计算的刚体转动惯量相比较, 结果表明形成的双核系统有大的形变.     

分离作用RFQ加速器物理特性的研究

RFQ加速器中加速效率随加速能量的增高而下降,为克服由此导致的RFQ能量局限而提出的分离作用RFQ加速结构,在仍保持采用射频四极场聚焦的同时,将加速与聚焦作用相分离. 综述了对它的加速效率、反场问题、腔体及束流特性研究 的结果,初步证实了其可行性及在较高能量区加速效率得到提高,并对正在研制的一台采用了这种分离作用RFQ的1.5MeV组合加速器做了介绍.     

Moment Systems Derived from Relativistic Kinetic Equations

In this paper, we are interested in the derivation of macroscopic equations from kinetic ones using a moment method in a relativistic framework. More precisely, we establish the general form of moments that are compatible with the Lorentz invariance and derive a hierarchy of relativistic moment systems from a Boltzmann kinetic equation. The proof is based on the representation theory of Lie algebras. We then extend this derivation to the classical case and general families of moments that obey the Galilean invariance are also constructed. It is remarkable that the set of formal classical limits of the so-obtained relativistic moment systems is not identical to the set of classical moments quoted in Ref. 21 and one could use a new physically relevant criterion to derive suitable moment systems in the classical case. Finally, the ultra-relativistic limit is considered.     

Quadrupole interactions at 57Fe and 119Sn in 3d-metal antimonides

3d-metal antimonides: Fe_1+x Sb, N_+x Sb, Co_+x Sb and the (Ni_1?y Fe _y )Sb solid solution have been studied by the Mössbauer effect method at ⁵⁷Fe and ¹¹⁹Sn. It was found that the quadrupole interactions at the Fe and Sn nucleus in 3d-metal antimonides are very sensitive to the filling of different crystallographic sites with metal atoms. The metal atoms in trigonal-bipyramidal sites have a strong effect on the quadrupole splitting of ¹¹⁹Sn. They are nearest to anions (Sb or Sn) with the typical axial ratio of c/a = 1.25. The QS(x) dependence of ¹¹⁹ Sn in 3d-metal antimonides in the 0 ≤ x ≤ 0.1 concentration range can be used to determine x – the concentration of transition metal excess relative to the stoichiometric composition.