Pseudopotential approach to magnetic energy bandstructure and magnetic breakdown in metals

The orthogonalized plane wave method of energy bandstructure calculation is generalized to the case of a metal under the influence of an external de magnetic field, with the magnetic translational symmetry taken into account fully. The magnetic field-dependent effective lattice potential or pseudopotential derived from it is interpreted as a “magnetic” pseudopotential and shown to depend only weakly on the magnetic field strength so that, to a good approximation, it can be replaced by an ordinary pseudopotential, and treated as a perturbation in the calculation of magnetic energy bands and galvanomagnetic properties in nearly-free-electron metals. Physical properties connected with the phenomenon of magnetic breakdown, in particular the Landau level broadening, which were previously shown by Pippard, Zak and others to be proportional to an unspecified pseudopotential, are reformulated in terms of the magnetic pseudopotential. The convergence of the method is also discussed.     

磁场中与形变势相互作用的表面极化子的有效质量

近年来 ,磁场中极性晶体表面极化子的性质已引起人们的广泛关注。Ｌａｒｓｅｎ[1 ] 采用四级微扰法计算了磁场中二维极化子的基态能量。Ｗｅｉ等[2 ] 用格林函数方法研究了交界面磁极化子的回旋共振质量和频率。本文作者之一[3] 用线性组合算符讨论了磁场中表面极化子的性质。实际上 ,到目前为止 ,对表面磁极化子的研究 ,只限于考虑表面电子只与表面光学 (ＳＯ)声子和体纵光学 (ＬＯ)声子相互作用 ,而忽略了表面电子与表面声学 (ＳＡ)声子相互作用。对电子通过形变势与晶格声学振动相互作用形成的准粒子 声学形变势 (ＡＤＰ)极化子性质的研…     

Effect of a magnetic field on the dipole echo in glasses caused by nuclear quadrupole moments

The effect of a magnetic field on the amplitude of the dipole echo in glasses at a temperature of about 10 mK caused by the presence of nonspherical nuclei with electric quadrupole moments in the glass has been considered theoretically. It has been shown that in this case, the two-level systems (TLSs) that determine the properties of glasses at low temperatures are transformed into more complicated multilevel systems. These systems have new properties as compared to usual TLSs and, in particular, exhibit oscillations of the electric dipole echo amplitude in the magnetic field. A general formula that describes the echo amplitude in an arbitrarily split TLS has been derived in perturbation theory. Detailed analytic and numerical analysis of the formula has been performed. The theory agrees qualitatively and quantitatively well with the experimental data.     

表面极化子光学声子平均数的磁场和温度依赖性

采用变分法、幺正变换和拉格朗日乘子法,研究了有限温度下纯二维晶体中表面磁极化子的性质.讨论了表面光学声子平均数、磁极化子振动频率λ与磁场B、温度T及Lsgrange乘子u之间的关系.对KCl晶体进行了数值计算,结果表明:磁极化子振动频率、表面光学声子平均数均随磁场B的增强而增加,且随温度T升高而增加.当bgrange乘子u超出慢电子范围时磁极化子振动频率、表面光学声子平均数均随u增加而增大且变化越来越显著.     

Simulation of natural convection under high magnetic field by means of the thermal lattice Boltzmann method

The thermal lattice Boltzmann method (TLBM), which was proposed by J. G. M. Eggels and J. A. Somers previously, has been improved in this paper. The improved method has introduced a new equilibrium solution for the temperature distribution function on the assumption that flow is incompressible, and it can correct the effect of compressibility on the macroscopic temperature computed. Compared to the previous method, where the half-way bounce back boundary condition was used for non-slip velocity and temperature, a non-equilibrium extrapolation scheme has been adopted for both velocity and temperature boundary conditions in this paper. Its second-order accuracy coincides with the ensemble accuracy of lattice Boltzmann method. In order to validate the improved thermal scheme, the natural convection of air in a square cavity is simulated by using this method. The results obtained in the simulation agree very well with the data of other numerical methods and benchmark data. It is indicated that the improved TLBM is also successful for the simulations of non-isothermal flows. Moreover, this thermal scheme can be applied to simulate the natural convection in a non-uniform high magnetic field. The simulation has been completed in a square cavity filled with the aqueous solutions of KCl (11wt%), which is considered as a diamagnetic fluid with electrically low-conducting, with Grashof number Gr=4.64× 10^4 and Prandtl number Pr=7.0. And three cases, with different cavity locations in the magnetic field, have been studied. In the presence of a high magnetic field, the natural convection is quenched by the body forces exerted on the electrically low-conducting fluids, such as the magnetization force and the Lorentz force. From the results obtained, it can be seen that the quenching efficiencies decrease with the variation of location from left, symmetrical line, to the right. These phenomena originate from the different distributions of the magnetic field strengths in the zones of the symmetrical central line of the magnetic fields. The results are also compared with those without a magnetic field. Finally, we can conclude that the improved TLBM will enable effective simulation of the natural convection under a high magnetic field.     

自旋和声子之间相互作用对TlBr晶体中表经极化子性质的影响

在考虑电子自旋和声子之间相互作用的同时,采用线性组合算符和微扰法研究半无限Ｔ１Ｂｒ晶体内表面磁极化子处于基态时的振动频率和诱生势与磁场Ｂ和距晶体表面距离（坐标）ｚ之间的依赖关系。     

Energy fluxes in helical magnetohydrodynamics and dynamo action

Renormalized viscosity, renormalized resistivity, and various energy fluxes are calculated for helical magnetohydrodynamics using perturbative field theory. The calculation is of firstorder in perturbation. Kinetic and magnetic helicities do not affect the renormalized parameters, but they induce an inverse cascade of magnetic energy. The sources for the large-scale magnetic field have been shown to be (1) energy flux from large-scale velocity field to large-scale magnetic field arising due to non-helical interactions and (2) inverse energy flux of magnetic energy caused by helical interactions. Based on our flux results, a primitive model for galactic dynamo has been constructed. Our calculations yield dynamo time-scale for a typical galaxy to be of the order of 10⁸ years. Our field-theoretic calculations also reveal that the flux of magnetic helicity is backward, consistent with the earlier observations based on absolute equilibrium theory.     

Magnetoelectric properties in A-type antiferromagnet in an electric field

Mean-field theory based on Heisenberg model is used to investigate the magnetic and magnetoelectric properties at a finite temperature in the A-type antiferromagnetic lattice, in which we consider that an applied electric field can generate a bulk magnetic moment. We have calculated the magnetic moment, magnetic susceptibility and magnetoelectric susceptibility as a function of temperature for A-type antiferromagnetic system. It is demonstrated that an applied electric field together with the coupling parameter has an effect on the magnetic ordering behavior. Our results are almost consistent with those of spin-wave theory within the range of low temperature.     

Magnetic properties of a three layer superlattice with a crystal field

In this paper the magnetic properties of a three layer superlattice with the crystal field on the honeycomb and square lattice have been studied based on the effective-field theory with self-spin correlations and the differential operator technique. The effects of the crystal field and longitudinal magnetic field on the susceptibility are discussed in detail. A number of interesting phenomena, originating from the competition between the longitudinal magnetic field, crystal-field, and coordination number, have been found.     

Resonant absorption of electromagnetic radiation in a quantum channel due to the scattering of electrons by impurities

We have found an analytical expression for the absorption coefficient of electromagnetic radiation in a quantum channel with a parabolic confinement potential. The calculation has been performed using the second-order perturbation theory taking into account the scattering of a quasi-one-dimensional electron gas by ionized impurities. We have analyzed the dependences of the absorption coefficient on the frequency of the electromagnetic radiation and the magnetic field. The appearance of additional resonant peaks, which are caused by scattering by impurities, has been found.     

Impurity and exciton effects on the nonlinear optical properties of a disc-like quantum dot under a magnetic field

A detailed investigation of the nonlinear optical properties of the (D⁺, X) complex in a disc-like quantum dot (QD) with the parabolic confinement, under applied magnetic field, has been carried by using the perturbation method and the compact density-matrix approach. The linear and nonlinear optical absorption coefficients between the ground (L = 0) and the first excited state (L = 1) have been examined based on the computed energies and wave functions. The competition between the confinement and correlation effects on the one hand, and the magnetic field effects on the other hand, is also discussed. The results show that the confinement strength of QDs and the intensity of the illumination have drastic effects on the nonlinear optical properties. In addition, we note that the absorption coefficients of an exciton in QDs depend strongly on the impurity but weakly on the magnetic field. Furthermore, the light and heavy hole excitons should be taken into account when we study the optical properties of an exciton in a disc-like QD.     

Magnetic properties of CrSb compounds with zinc-blende and wurtzite structures

The electronic structure and magnetic properties of Cr-Sb compounds with zinc-blende and wurtzite structure have been studied by means of the Korringa-Kohn-Rostoker (KKR) band structure method. The occurrence of a half-metallic behavior has been investigated for the bulk systems as a function of lattice parameter, as well as for thin films deposited on different substrates. In the latter case the influence of the surface and interface on the electronic structure is discussed in addition. To study magnetic order in the bulk and within the films, exchange coupling parameters have been calculated from first principles. They have been used for subsequent Monte Carlo simulations, based on a classical Heisenberg Hamiltonian, to obtain the Curie temperature.     

Lattice Boltzmann simulation of the two-dimensional flow of a magnetic suspension between two parallel walls under a non-uniform magnetic field

We have developed a lattice Boltzmann method based on fluctuation hydrodynamics that is applicable to the flow problem of a particle suspension. In this method, we have introduced the viscosity-modifying method, rather than the velocity-scaling method, in which a modified viscosity is used for generating random forces in lattice Boltzmann simulations. The viscosity-modifying method is found to be applicable to the simulation of a magnetic particle suspension. We have applied this method to the two-dimensional Poiseuille flow of a magnetic suspension between two parallel walls in order to investigate the behavior of magnetic particles in a non-uniform applied magnetic field. From the results of the snapshots, the pair correlation function between the magnetic pole and the magnetic particles and the averaged local particle velocity and magnetization distributions, it was observed that the behavior of the magnetic particles changes significantly depending upon which factor dominates the phenomenon in the balance between the magnetic particle–particle interaction, the non-uniform applied magnetic field and the translational and rotational Brownian motion.     

Excitation of the orientation transition wave and chaotic dynamics in a lattice of magnetic nanoparticles

The propagation of the front of oscillatory dynamics of magnetic moments caused by the local perturbation of the lattice along a system is studied for planar three-row lattices of magnetic nanoparticles having cubic anisotropy and coupled by the dipole interaction. The propagation of both the transition between two equilibrium planar configurations and chaotic oscillations of magnetic moments in the case of their initial orientation perpendicular to the plane of the lattice is implemented. The possibility of controlling the velocity of propagation of the orientation transition wave and its stop is revealed. The appearance of the moving front of the chaotic dynamics is found at switching on and switching off the local external field and at the action of the alternating field pulse.     

Ca掺杂对ZnO氧化物热学性能的影响

在密度泛函理论和线性响应的密度泛函微扰理论基础上的第一性原理计算的方法研究了Ca掺杂对纤锌矿结构氧化物ZnO热学参数和热学性能的影响。研究结果表明,Ca掺杂ZnO氧化物晶格a,b,c轴均有所增大;在计算温度区间,纯的ZnO和Ca掺杂的ZnO的晶格热容均随温度升高不断增大;Ca掺杂的ZnO具有较高的晶格热容;纯的ZnO和Ca掺杂的ZnO的晶格热容在最高温度900K分别达到16.5 Cal.mol-1K-1和31.7Cal.mol-1K-1。纯的ZnO和Ca掺杂的ZnO的德拜温度 均随温度升高不断增大,Ca掺杂的ZnO的德拜温度 均高于纯的ZnO。Ca掺杂在ZnO中引入了新的振动模式。Ca掺杂ZnO氧化物应该具有较高的晶格热导率。     

Ca掺杂对ZnO氧化物热学性能的影响

在密度泛函理论和线性响应的密度泛函微扰理论基础上的第一性原理计算的方法研究了Ca掺杂对纤锌矿结构氧化物ZnO热学参数和热学性能的影响。研究结果表明,Ca掺杂ZnO氧化物晶格a,b,c轴均有所增大;在计算温度区间,纯的ZnO和Ca掺杂的ZnO的晶格热容均随温度升高不断增大;Ca掺杂的ZnO具有较高的晶格热容;纯的ZnO和Ca掺杂的ZnO的晶格热容在最高温度900K分别达到16.5 Cal.mol-1K-1和31.7Cal.mol-1K-1。纯的ZnO和Ca掺杂的ZnO的德拜温度 均随温度升高不断增大,Ca掺杂的ZnO的德拜温度 均高于纯的ZnO。Ca掺杂在ZnO中引入了新的振动模式。Ca掺杂ZnO氧化物应该具有较高的晶格热导率。     

Numerical analysis of the averaged flow field in a turbulent lattice Boltzmann simulation

A direct numerical simulation of a turbulent flow field with a lattice BGK method is presented. A spatial coarse graining of the numerical results is compared with the expected LBGK dynamics for a flow field on a reduced lattice size. This comparison permits to exhibit subgrid properties of the fluid which are not resolved on the coarse lattice. As expected from existing subgrid models, an effective viscosity can be measured that increases when the lattice is coarse grained. Turbulence models based on an effective viscosity are particularly interesting in a lattice Boltzmann simulation, due to the linearity of the propagation operator.     

On the possibility of high-energy neutron diffraction in a crystal in the field of laser radiation

For the first time the high-energy neutrons scattering in a crystal is considered under the influence of an external laser wave field. The process is inelastic with respect to the laser wave and at the same time it is elastic with respect to a crystal. The possibility of high-energy neutron diffraction is illustrated—wavelength of neutrons is less than the lattice period. The method is based on the multiphoton interaction of the neutron anomalous magnetic moment with the field of laser radiation by using the Farri representation. The neutron-phonon interaction is considered to be a perturbation described by the Fermi pseudopotential.     

Fabrication and magnetic properties of hexagonal BaFe12O19 ferrite obtained by magnetic-field-assisted hydrothermal process

High magnetic field effects on the microstructure and magnetic properties of BaFe₁₂O₁₉ hexaferrites synthesized hydrothermal method have been investigated. The obtained results indicate that the lattice constant decreases gradually as the magnetic field strength increases, which may be attributed to the lattice distortion resulted from the high magnetic field. Polycrystalline BaFe₁₂O₁₉ samples prepared under magnetic field strength at zero and 5 T are single phase. It is found that application of external magnetic field during synthesis can induce orientated growth of the hexaferrite crystals along the easy magnetic axis. The magnetic properties can be effectively regulated by an application of high magnetic fields. It is observed that the BaFe₁₂O₁₉ prepared under a 5 T magnetic field exhibits a higher room-temperature saturation magnetization (66.3 emu/g) than that of the sample (43.6 emu/g) obtained without magnetic field. The results can be explained as the enhanced crystalline, improvement of Fe³⁺ ions occupancy and the oriented growth induced by the external magnetic field. The growing orientation of particles gives rise to increased coercivity due to the enhancement in shape anisotropy. It is expected that an application of magnetic field during the formation of magnetic nanoparticles could be a promising technique to modify magnetic properties with excellent performance.     

表面磁极化子的光学声子平均数

采用Tokuda改进的线性组合算符、Lagrange乘子和变分法,讨论了强、弱耦合表面磁极化子的性质。计算了极化子的基态能量和光学声子平均数。以AgCl和ZnS晶体为例进行了数值计算。讨论了表面磁极化子振 动频率、基态能量和光学声子平均数与磁场B和拉格朗日乘子u的关系。