化合物SmCo5的电子结构、自旋和轨道磁矩及其交换作用分析

用自旋极化的MS-Xα方法研究了稀土-过渡族化合物SmCo5₅的电子态密度、自 旋能级劈裂及原子磁矩.研究结果显示，由于化合物中Sm-Co间的轨道杂化效应，使Sm原子原来的5d00空轨道上占据了少量5d电子.由于Co(3d)-Sm(5d)电子间的直接交换作用，导致了Sm-Co间的磁性交换耦合，这是化合物中形成Sm-Co铁磁性长程序的一个重要原因.在SmCo5_{5化合物中存在6个能级呈现负交换耦合，导致了SmCo55化 关键词： 电子结构 自旋极化 原子磁矩 交换耦合}     

Pr_2(Fe_(0.8)Co_(0.2))_(14)B磁结构的中子衍射研究

本文报道用中子衍射测定的含硼稀土过渡族金属间化合物Pr_2(Fe_(0.8)Co_(0.2))_(14)B的晶体结构与磁结构。将中子三轴谱仪用作二轴粉末衍射仪,在室温测该化合物粉末样品的中子衍射强度,用轮廓精化法弥合衍射数据。该化合物属Nd_2Fe_(14)B类四方结构,α=8.8110A,c=12.2307A。设Pr,Fe和Co原子磁矩间为铁磁耦合,同一晶位的Fe,Co原子磁矩相等,存在沿c轴的易磁化方向,得到两个非等效Pr原子晶位Pr4f和Pr4g的磁矩1.2μ_B和1.4μ_B,和六个非等效铁族原子晶位T16k_1,T16k_2,T8j_1,T8j_2,T4e和T4c的磁矩2.2,2.1,1.9,3.1,1.6和1.0μ_B。Co原子在六种非等效晶位上的分布是平均的、等几率的。     

x射线磁性圆二色吸收谱分析Co膜厚度对原子磁矩和自旋磁矩的影响

利用软x射线磁性圆二色吸收谱(XMCD)研究了Si衬底上沉积的不同厚度的Co膜的轨道磁矩和 自旋磁矩.样品是磁控溅射方法制备的，膜的厚度分别是2nm,10nm和30nm，并在表面覆盖0.8 —1nm厚的金膜防止样品的氧化.根据XMCD求和定则计算得到的轨道磁矩和自旋磁矩分别是0. 249—0.195μ_B(玻尔磁子)和1.230—1.734μ_B.随着膜厚的减小，C o原子的轨道磁矩增加，而自旋磁矩下降.轨道磁矩与总磁矩的比值由0.101上升至0.168，即 2nm膜中Co原子的轨道磁矩对总磁矩的贡献比30nm膜中Co原子的大了83%. 关键词： x射线磁性圆二色 磁性薄膜 轨道磁矩和自旋磁矩 厚度效应     

Nd2Fe14B的价电子结构分析和磁性计算

应用固体与分子经验电子理论计算了Nd2Fe14B的价电子结构、磁矩和居里温度,计算结果与实验值相符.计算表明:该合金的磁性与3d磁电子数成正比.从Fe(c)晶位到Fe(k2)晶位磁矩增加,其机理源于价电子、哑对电子和3d磁电子之间的转化,有78%的哑对电子和18%的3d共价电子转化成了磁电子.居里温度和磁矩与Fe原子配位数成正比,与加权等同键数Iσ成反比,Nd原子和B原子通过调节原子间键距影响Nd2Fe14B合金的居里温度.     

Co2YSn(Y=Ti,Zr)电子结构和轨道磁性的第一性原理研究

基于密度泛函理论(DFT)采用第一性原理的全势能线性缀加平面波(FLAPW)的能带计算方法研究了强磁性Heusler合金Co2TiSn和Co2ZrSn的电子能带结构,在计算中考虑了自旋-轨道藕合(SOC)的修正.计算结果表明两种合金在费米面附近的能带结构是一个d-d电子杂化作用形成的能带.分析计算结果发现Co原子对磁矩有主要的贡献,两种Heusler合金的磁矩是由于Co原子3d eg的自旋劈裂形成的,3deg的自旋向下分量是合金的电子态密度(DOS)的主要来源.由能带计算得到Co2TiSn和Co2ZrSn的自旋磁矩分别为1.97μB和1.96μB,其中Co原子在上述两种合金中的自旋磁矩分别是1.01μB和1.02μB,轨道磁矩分别为0.041μB和0.051μB.     

Pr2(Fe0.8Co0.2)14B磁结构的中子衍射研究

本文报道用中子衍射测定的含硼稀土过渡族金属间化合物Pr₂(Fe_0.8Co_0.2)₁₄B的晶体结构与磁结构。将中子三轴谱仪用作二轴粉末衍射仪,在室温测该化合物粉末样品的中子衍射强度,用轮廓精化法弥合衍射数据。该化合物属Nd₂Fe₁₄B类四方结构,α=8.8110?,c=12.2307?。设Pr,Fe和Co原子磁矩间为铁磁耦合,同一晶位的Fe,Co原子磁矩相等,存在沿c轴的易磁化 关键词：     

Sm1－xGdxA12低温下的磁性

分别测量了Sm1-xGdxAl2在低温下不同外加磁场时的电阻和磁化率.实验 结果表明，铁磁性物质Sm1-xGdxAl2在居里温度以下时，自旋磁矩和轨 道磁矩反平行有序排列，且对温度的依赖关系不同，导致在磁性抵消点出现自旋铁磁有序而 总磁矩为零的磁现象.并发现外加强磁场时自旋 轨道发生翻转. 关键词： Sm1-xGdxAl2 铁磁有序 自旋磁矩 轨道磁矩     

钴铝共掺3C-SiC电子结构和磁性的第一性原理计算

采用基于密度泛函理论的第一性原理计算方法,分别计算了不同Co原子比例单掺杂、Al原子单掺杂和Co-Al共掺杂3C-SiC的电子结构和磁性参数.结果表明:随着掺杂Co原子比例的增大,单个Co原子对体系总磁矩贡献的平均值反而减小.由电子态密度分析掺杂3C-SiC体系中的磁性来源,主要是由Co-3d以及Co原子附近的C-2p电子轨道的自旋极化产生的. Al单掺3C-SiC时体系中每个原子的平均磁矩和体系总磁矩均为0,即Al单掺杂体系不具有磁性.而Co-Al共掺杂得到的体系总磁矩比单掺等量Co时要大约0. 09μB,即Co-3d与Al-3p电子轨道发生轨道杂化,使得Co-Al共掺杂可以增大Co原子对体系总磁矩的贡献.     

Ge_nMn(n=1-13)团簇的稳定结构、电子性质和磁性研究

基于全电子的密度泛函理论,对GenMn(n=1-13)团簇的结构和电子、磁特性进行了研究,结果表明:GenMn(n=1-7)团簇的最稳定结构是在Gen+1团簇的最稳态结构的基础上用Mn原子替代一个角位的Ge原子获得;纯锗团簇的稳态结构为空心的笼状或扁长的棒状构型,而GenMn(n=8-13)趋于以二十面体为基础生长,即掺杂Mn可以使锗团簇趋于密实结构生长;除Ge3Mn团簇的总自旋磁矩是5μB外,其他掺杂团簇总自旋磁矩都是3μB或1μB,而且主要是由Mn原子3d轨道电子提供的,且3d轨道的磁矩大小与4s,3d轨道间电子的转移程度有着直接的关系;计算得到的Mn原子居于中心的六棱柱形结构的Ge12Mn团簇,无论是几何结构还是化学活性方面都是最稳定的.     

顺磁共振波谱仪

一、顺磁共振现象运动着的电子具有磁矩。对于原子来说,它的磁矩等于电子的自旋磁矩和轨道磁矩的矢量和。如果原子中的所有电子的磁矩总和不等于零时,那末这种原子就具有顺磁性质。考虑最简单的顺磁物质。它含有未偶电子,当它没有受到外磁場作用时,未偶电子的磁矩的取向是混乱的,因此整个样品的总矩被平均掉了;宏观上看不出它有磁性。如果样品处于     

T and S dualities and the cosmological evolution of the dilaton and the scale factors

Cosmologically stabilizing radion along with the dilaton is one of the major concerns of low energy string theory. One can hope that T and S dualities can provide a plausible answer. In this work we study the impact of S and T duality invariances on dilaton gravity. We have shown various instances where physically interesting models arise as a result of imposing the mentioned invariances. In particular S duality has a very privileged effect, in that the dilaton equations partially decouple from the evolution of the scale factors. This makes it easy to understand the general rules for the stabilization of the dilaton. We also show that certain T duality invariant actions become S duality invariance compatible. That is, they mimic S duality when the extra dimensions stabilize.     

Boltzmann'sH theorem and the Loschmidt and the Zermelo paradoxes

The Umkehreinwand of Loschmidt and the Wiederkehreinwand of Zermelo have been reexamined. The former paradox depends on the augument that for a dynamical system, upon the reversal of the velocities of all the molecules, theH function retraces its sequence of values so thatdH/dt will change its sign. The latter paradox depends on the argument that theH function returns infinitely close to its value after a Poincare' quasi-period and therefore cannot be decreasing all the time. While the main contention of the two paradoxes is correct, that theH theorem is inconsistent with classical dynamical laws, the arguments there can be considerably simplified and the “paradoxes” answered more directly. If the distribution functionf(q _K ,p _K ,t) is governed by an equation which is time-reversal invariant (such as the Liouville equation for a closed dynamical system), then it can be shown immediately thatdH/dt=0,H=cons. In this case, both paradoxes disappear, but together with them, thedH/dt<0 part of theH theorem also has disappeared, i.e., there is no second law of thermodynamics. Iff(q _K ,p _K ,t) is governed by an equation which is not time-reversal invariant (such as the Boltzmann equation, or the Master Equation for Markovian processes), then (1) there is no argument forf andH(t) to retrace their sequence of values upon the reversal of all the velocities of the system, (2) there is no quasiperiod in whichf andH(t) return to their earlier values. In this case, both paradoxes disappear also, but then one must go beyond classical dynamics in order to maintain theH theorem.     

Design and analysis of the tunnel connecting the beamcorridor and the spectrum hall of the CSNS

There is a tunnel connecting the beamcorridor and the target station in the spectrum hall in the CSNS project.The length of the tunnel is about 20 m.The shielding design of the tunnel is very significant for the persons working in the spectrum hall because the tunnel is not covered ed soil for shielding.In order to reduce the dose rate at the exit of the cable ducts,we use the ISIS construction,which is designed with four turnings,as a reference for the tunnel design.The thickness of the shielding is obtained by a simulationwith the Monte Carlo Code FLUKA.The result is compared with the data obtained with Moyer Mode and the reliability of the simulation is proved.This paper provides the basis for the design of the tunnel.     

Design and analysis of the tunnel connecting the beamcorridor and the spectrum hall of the CSNS

There is a tunnel connecting the beamcorridor and the target station in the spectrum hall in the CSNS project. The length of the tunnel is about 20 m. The shielding design of the tunnel is very significant for the persons working in the spectrum hall because the tunnel is not covered by soil for shielding. In order to reduce the dose rate at the exit of the cable ducts, we use the ISIS construction, which is designed with four turnings, as a reference for the tunnel design. The thickness of the shielding is obtained by a simulation with the Monte Carlo Code FLUKA. The result is compared with the data obtained with Moyer Mode and the reliability of the simulation is proved. This paper provides the basis for the design of the tunnel.     

On the Bose symmetry and the left- and right-chiral anomalies

It is generally assumed that in order to preserve Bose symmetry in the left- (or right-chiral) current it is necessary to equally distribute the chiral anomaly between the vectorial and the axial Ward identities, requiring the use of counterterms to restore consistency. In this work, we show how to calculate the quantum breaking of the left- and right-chiral currents in a way that allows to preserve Bose symmetry independently of the chiral anomaly, using the implicit regularization method.     

Symmetries and the mass ratio of the electron and muon

A model of symmetries and gauge interactions relating the electron and muon is considered. The model is based on the U_L(1)?U_R(1)?R_L?R_R group where U_L(1)?U_R(1) denotes the chiral e-μ rotation and R_L?R_R the chiral reflection of the electron field. The invariance under this group is spontaneously broken by the vacuum expectation values of scalar fields. A zeroth-order vacuum is found for which the zeroth-order electron mass vanishes, while one-loop corrections lead to a finite $\text{m}{}_{\mathrm{<mtext>e</mtext>}}\text{mμ}$ ratio. The decay process μ → e + γ is strictly forbidden in this model.     

Infrared renormalons and the relations between the Gross-Llewellyn Smith and the Bjorken polarized and unpolarized sum rules

It is demonstrated that the infrared renormalon calculus indicates that the QCD theoretical expressions for the Gross-Llewellyn Smith sum rule and for the Bjorken polarized and unpolarized ones contain an identical negative twist-4 1/Q² correction. This observation is supported by the consideration of the results of calculations of the corresponding twist-4 matrix elements. Together with the indication of the similarity of the perturbative QCD contributions to these three sum rules, this observation leads to simple new theoretical relations between the Gross-Llewellyn Smith and Bjorken polarized and unpolarized sum rules in the energy region Q² ≥ 1 GeV². The validity of this relation is checked using concrete experimental data for the Gross-Llewellyn Smith and Bjorken polarized sum rules.     

岩石密度及磁化率与反射光谱特征关系研究

通过对三大岩类中15种岩石样本（样本总数目达208块）进行取样测定,获得其密度、磁化率以及波段350～2 500 nm的反射光谱数据。以研究岩石物性（密度及磁化率）与其不同波段反射率相关性,求取了相关系数曲线。根据试验结果曲线,进一步对具有岩石反射率定性及定量探讨岩石密度及磁化率前景的岩石种类及波段进行了总结,并且对几种岩石相关系数曲线的特征进行了归纳。认为通过岩石反射率间接获取岩石密度及磁化率的研究思路具有一定意义及可行性。     

Causality and Dispersion Relations and the Role of the S-Matrix in the Ongoing Research

The adaptation of the Kramers-Kronig dispersion relations to the causal localization structure of QFT led to an important project in particle physics, the only one with a successful closure. The same cannot be said about the subsequent attempts to formulate particle physics as a pure S-matrix project. The feasibility of a pure S-matrix approach are critically analyzed and their serious shortcomings are highlighted. Whereas the conceptual/mathematical demands of renormalized perturbation theory are modest and misunderstandings could easily be corrected, the correct understanding about the origin of the crossing property requires the use of the mathematical theory of modular localization and its relation to the thermal KMS condition. These new concepts, which combine localization, vacuum polarization and thermal properties under the roof of modular theory, will be explained and their potential use in a new constructive (nonperturbative) approach to QFT will be indicated. The S-matrix still plays a predominant role but, different from Heisenberg’s and Mandelstam’s proposals, the new project is not a pure S-matrix approach. The S-matrix plays a new role as a “relative modular invariant”.