反对称Spin-1/2阻挫钻石链的基态和磁化行为研究

对含有次近邻节点自旋交换耦合的自旋-1/2伊辛-海森伯钻石链体系进行了研究,利用矩阵对角化和传递矩阵方法对基态磁相和宏观热力学量进行了严格求解,重点探讨了所有交换耦合均为反铁磁耦合时,体系节点伊辛自旋间次近邻相互作用的影响.研究结果表明次近邻节点伊辛自旋存在反铁磁耦合时会增强系统的阻挫效应,引入破坏平移对称性的经典亚铁磁相,使基态呈现出上上上下上上的自旋构型以及磁化曲线新颖的2/3磁化平台,丰富了体系的基态相图和宏观磁性行为.     

有限铁磁—反铁磁线链中的自旋波谱及其激发

本文研究了由交换作用耦合起来的有限长铁磁和反铁磁链组成的自旋系统。计算了系统的自旋波的波谱及其在微波场中的激发强度。在所得结果的基础上,讨论了具有反铁磁氧化层的铁磁薄膜的自旋波共振。阐明了等效地使用唯象普遍边界条件的可能性。根据理论,对等效的表面各向异性能作了估计,得到的数值与实验值很好地符合。     

一维钻石链反铁磁Ising模型磁化的模拟

采用Monte Carlo模拟方法对自旋为1/2的一维钻石链反铁磁Ising系统的磁化行为进行研究.在这个系统中,反铁磁的交换作用和三角结构导致存在自旋阻挫.重点研究不同的反铁磁自旋交换作用对系统磁行为和自旋构型的影响.模拟磁化曲线中M=M_S/3磁化平台,得到平台宽度随不同的自旋交换相互作用强弱的变化关系,以及出现磁化平台时格点的自旋构型;给出亚稳态存在的条件及亚稳态时的微观构型.研究磁滞回线随温度的变化关系.结果表明,随着温度的升高,磁滞回线逐渐减小,最终消失.     

交换偏置系统中的反铁磁磁化与自旋波

采用自由能变分法研究了铁磁/反铁磁双层膜系统在反铁磁层存在净磁化下的自旋波谱.本模型中铁磁薄层具有单轴磁晶各向异性和立方磁晶各向异性,反铁磁层仅具有单轴磁晶各向异性,但厚度有限,推导出了系统铁磁共振频率的表达式.结果表明：系统的自旋波谱分光学模和声学模两种,其中光学模仅在反铁磁层存在净磁化时得到激发.自旋波谱可按外磁场强度的变化情况分为强弱两支;区分强磁场和弱磁场的临界场依赖于铁磁/反铁磁间的交换作用,反铁磁层的磁化强度以及反铁磁层的厚度等.交换偏置场对光学模的影响明显于声学模,而反铁磁的净磁化和其厚度对系统的影响紧密联系,难以区分.但当反铁磁层净磁化很小可忽略时,系统只存在声学模激发. 关键词： 铁磁/反铁磁双层膜 反铁磁层净磁化 光学模 声学模     

单分子磁体中交换常数计算的新方法

采用基于密度泛函理论(DFT)的第一性原理计算方法,在现有的单分子磁体交换耦合常数计算方法的基础上提出了一种新的计算方法.采用新方法计算两个原子之间的交换耦合常数时,首先分别设置这两个原子的自旋取向,然后再同时设置两个原子的自旋取向,计算出总能即可,而不用选取不同的自旋组态并求解线性方程组.方法特别适合含有数目很大的磁性原子的单分子磁体交换耦合常数的计算.采用新方法计算了Fe7和Fe20配合物分子的交换耦合常数.结果表明,Fe7和Fe20分子中的交换常数都为负,即反铁磁耦合时能量更低,这与类似分子的相关研究相一致.     

单分子磁体中交换常数计算的新方法

采用基于密度泛函理论(DFT)的第一性原理计算方法,在现有的单分子磁体交换耦合常数计算方法的基础上提出了一种新的计算方法.采用新方法计算两个原子之间的交换耦合常数时,首先分别设置这两个原子的自旋取向,然后再同时设置两个原子的自旋取向,计算出总能即可,而不用选取不同的自旋组态并求解线性方程组.方法特别适合含有数目很大的磁性原子的单分子磁体交换耦合常数的计算.采用新方法计算了Fe7和Fe20配合物分子的交换耦合常数.结果表明,Fe7和Fe20分子中的交换常数都为负,即反铁磁耦合时能量更低,这与类似分子的相关研究相一致.     

Ni4NdB电子结构和磁性能第一性原理研究

采用第一性原理,在局域自旋密度近似LSDA及LSDA+U近似,对Ni₄NdB化合物进行结构优化,计算体系晶格常数,电子结构和磁性能.结果表明,Ni₄NdB为带隙很小的金属导体,存在Nd-Ni铁磁耦合,体系总磁矩由Nd原子局域磁矩提供.体系原子成键较为复杂,Nd原子与近邻Ni原子成金属键,Nd原子与近邻B原子成较强离子键,Ni原子与近邻Ni原子间存在间接交换相互作用.在U作用下,体系磁矩与Nd原子磁矩变化一致,Ni原子磁矩在2.75 eV呈现磁有序-磁有序崩溃转变 关键词： 密度泛函理论 电子结构 磁性能 稀土过渡金属间化合物     

应变作用下EuTiO_3材料磁性的格林函数理论研究

基于自旋波和格林函数理论,研究了低温下二维应变诱导的EuTiO_3在铁电四方相下的磁性性质,主要讨论了在铁电四方相下Eu离子在铁磁性和反铁磁性有序时系统沿不同高对称性方向的自旋波散射和磁化.我们发现施加外加应变不仅可改变晶格结构的对称性,还可以通过改变电子自旋之间的交换耦合作用,进而改变该材料的磁性散射和磁化等.     

Ni4PrB的电子结构和磁性能研究

考虑Pr-4f及Ni-3d电子间的库仑作用U和交换作用J,采用局域自旋密度近似LSDA(Local spin-density approximation)及LSDA+U(在位库仑势)近似,对Ni₄PrB化合物进行结构优化,并计算体系电子结构,能带结构和磁性能. 结果显示,Ni₄PrB具备金属半导体性质,存在Pr-Ni铁磁耦合. U的引入对体系磁特性和结构稳定性有关键作用,加U前体系磁性来源为Ni原子磁矩,加U后体系磁性来源为Pr原子,且体系稳定性提高,U值的作用对于修正体系强关联有重要影响,可以合理描述由强关联和自旋排斥引发的排斥效应. 关键词： 密度泛函理论 电子键结构 磁性能 稀土过渡金属间化合物     

铁磁体中缺陷对自旋波的影响

本文提出了一个处理磁性杂质或其他缺陷在磁性晶体中对自旋波频谱的影响的一般理论方法,并特别着重讨论了局域模自旋波。以一维线性格子为例进行计算的结果显示出:一个代位磁性杂质,可能产生不只一个高于连续带顶的局域模。其产生的条件和其能级位置均通过J′S′/JS和J′/J表达出来,这里S′和S各为杂质原子和基质原子的自旋量子数,J′和J各为杂质与近邻之间和一般近邻之间的交换作用系数。高度集中的应变和间隙原子如致使邻近处的交换作用增大,也导致局域模的出现。我们也考虑了磁偶极矩相互作用的影响,证明其并不破坏这些局域模的     

Spin dynamics in (III,Mn)V ferromagnetic semiconductors: the role of correlations

We address the role of correlations between spin and charge degrees of freedom on the dynamical properties of ferromagnetic systems governed by the magnetic exchange interaction between itinerant and localized spins. For this we introduce a general theory that treats quantum fluctuations beyond the random phase approximation based on a correlation expansion of the Green's function equations of motion. We calculate the spin susceptibility, spin-wave excitation spectrum, and magnetization precession damping. We find that correlations strongly affect the magnitude and carrier concentration dependence of the spin stiffness and magnetization Gilbert damping.     

Ferromagnetism in diluted magnetic semiconductor quantum dot arrays embedded in semiconductors

We present an Anderson-type model Hamiltonian with exchange coupling between the localized spins and the confined holes in the quantum dots to study the ferromagnetism in diluted magnetic semiconductor (DMS) quantum dot arrays embedded in semiconductors. The hybridization between the quantum-confined holes in the quantum dots and the itinerant holes in the semiconductor valence band makes possible hole transfer between the DMS quantum dots, which can induce the long range ferromagnetic order of the localized spins. In addition, it makes the carrier spins both in the quantum dots and in the semiconductors polarized. The spontaneous magnetization of the localized spins and the spin polarization of the holes are calculated using both the Weiss mean field approximation and the self-consistent spin wave approximation, which are developed for the present model.Received: 17 Mars 2003, Published online: 30 January 2004PACS: 75.75. + a Magnetic properties of nanostructures - 75.30.Ds Spin waves - 75.50.Dd Nonmetallic ferromagnetic materials - 75.50.Pp Magnetic semiconductors     

The Dzyaloshinskii-Moriya interaction in metals

The Dzyaloshinskii-Moriya (DM) interaction in metals is an important mechanism for many magnetic properties. We start with the s-d exchange model and spin-orbit interaction for weak itinerant ferromagnetic systems to establish the form of DM interaction for metallic magnetic systems. The s-d exchange interaction is treated accurately and the conduction electron-mediated magnetism gives a form of DM interaction which is different from that in insulators. The implications of our result to spiral spin states and skyrmion lattices are also discussed.     

Ferromagnetism and electron-phonon coupling in the manganites

The physics of ferromagnetic doped manganites, such as La 1-x Ca x MnO 3 with x ≈ 0.2-0.4, is reviewed. The concept of double exchange is discussed within the general framework of itinerant electron magnetism. The new feature in this context is the coupling of electrons to local phonon modes. Emphasis is placed on the quantum nature of the phonons and the link with polaron physics. However it is stressed that the manganites fall into an intermediate coupling regime where standard small-polaron theory does not apply. The recently-developed many-body coherent potential approximation is able to deal with this situation and Green's recent application to the Holstein double-exchange model is described. Issues addressed include the nature of the basic electronic structure, the metal-insulator transition, a unification of colossal magnetoresistance, pressure effects and the isotope effect, pseudogaps in spectroscopy and the effect of electron-phonon coupling on spin waves.     

Theory of polarized electron beam production by field emission from ferromagnets

A theory is given for field emission from ferromagnetic solids in which the two spin subbands of the conduction band are split by exchange forces. Using a simple plane wave model for the conduction band states it is shown that the familiar WKB approximation for the tunneling probability has to be improved by momentum dependent factors to account for the spin polarization of the emission current observed in a recent experiment which is 8% in the case of Gd. The calculations are extended to describe emission from Bloch states. Applications of the theory to various ferromagnetic systems are discussed, the use of ferromagnetic Eu_1?xGd_xS as a source for highly polarized beams is suggested.     

Many-body Green's function theory for the magnetic reorientation of thin ferromagnetic films

The field-induced reorientation of the magnetization of ferromagnetic films is treated within the framework of many-body Green's function theory by considering all components of the magnetization. We present a new method for the calculation of expectation values in terms of the eigenvalues and eigenvectors of the equations of motion matrix for the set of Green's functions. This formulation allows a straightforward extension of the monolayer case to thin films with many layers and for arbitrary spin and moreover provides a practicable procedure for numerical computation. The model Hamiltonian includes a Heisenberg term, an external magnetic field, a second-order uniaxial single-ion anisotropy, and the magnetic dipole-dipole coupling. We utilize the Tyablikov (RPA) decoupling for the exchange interaction terms and the Anderson-Callen decoupling for the anisotropy terms. The dipole coupling is treated in the mean-field approximation, a procedure which we demonstrate to be a sufficiently good approximation for realistic coupling strengths. We apply the new method to monolayers with spin and to multilayer systems with S=1. We compare some of our results to those where mean-field theory (MFT) is applied to all interactions, pointing out some significant differences. Received 19 June 2000 and Received in final form 2 August 2000     

Entanglement Negativity and Concurrence in Some Low-Dimensional Spin Systems

The influence of magnon bands on entanglement in the antiferromagnetic XXZ model on a triangular lattice, which models the bilayer structure consisting of an antiferromagnetic insulator and normal metal, is investigated. This effect was studied in ferromagnetic as well as antiferromagnetic triangular lattices. Quantum entanglement measures given by the entanglement negativity have been studied, where a magnon current is induced in the antiferromagnet due to interfacial exchange coupling between localized spins in the antiferromagnet and itinerant electrons in a normal metal. Moreover, quantum correlations in other frustrated models, namely the metal-insulation antiferromagnetic bilayer model and the Heisenberg model with biquadratic and bicubic interactions, are analyzed.     

Frustration effect and possibility of spin quantum liquid state in a tetrahedral spin ½ molecule

In this work, we studied the magnetic properties of a regularly tetrahedral molecule made of four spin-½, interconnected by exchange. For this purpose, we used the Heisenberg model and performed an exact resolution. In the case of a ferromagnetic coupling among the spins, the system orders itself under a magnetic field without displaying any net spontaneous magnetization. It behaves as a high spin-2 unique magnet.Under antiferromagnetic exchange, some exotic behaviour has been revealed due to the frustration governing the spin edifice. Thus, the magnetization is quantized into plateaus, which are separated by quantum phase transitions. In particular, we have argued the possibility of a quantum spin liquid (QSL) state that can occur at low temperature.This contribution intends mainly to bring single-molecular magnets to the front line of innovative nanoscale applications.