Quantum anomalous Hall effect in real materials

Under a strong magnetic field,the quantum Hall(QH) effect can be observed in two-dimensional electronic gas systems.If the quantized Hall conductivity is acquired in a system without the need of an external magnetic field,then it will give rise to a new quantum state,the quantum anomalous Hall(QAH) state.The QAH state is a novel quantum state that is insulating in the bulk but exhibits unique conducting edge states topologically protected from backscattering and holds great potential for applications in low-power-consumption electronics.The realization of the QAH effect in real materials is of great significance.In this paper,we systematically review the theoretical proposals that have been brought forward to realize the QAH effect in various real material systems or structures,including magnetically doped topological insulators,graphene-based systems,silicene-based systems,two-dimensional organometallic frameworks,quantum wells,and functionalized Sb(111) monolayers,etc.Our paper can help our readers to quickly grasp the recent developments in this field.     

The propagator representation of molecular transport in microporous crystallites

NMR diffusion data may easily be represented by the propagator, that is, by the probability that after a time interval Δ a molecule, initially at position z = 0, will be found at position z. Such a propagator representation is used for visualizing the mean features of molecular diffusion in biporous systems as, e.g., a powder sample of zeolite crystallites. As an example, propagator representations for ethane in NaX and NaCaA zeolites in dependence on the temperature and on the crystallite radii are given. The observed diffusion characteristics are in satisfactory agreement with theoretical estimates of the influence of inter- and intracrystalline transport on the overall diffusion behavior.     

Quantum confinement induced molecular correlated insulating state in La4Ni3O8

The recently synthesized layered nickelate La4Ni3O8, with its cupratelike NiO2 layers, seemingly requires a Ni1 (d(8))+2Ni2 (d(9)) charge order, together with strong correlation effects, to account for its insulating behavior. Using density functional methods including strong intra-atomic repulsion (Hubbard U), we obtain an insulating state via a new mechanism: without charge order, correlated (Mott) insulating behavior arises based on quantum-coupled, spin-aligned molecular Ni2-Ni1-Ni2 d(z)(2) trimer states across the trilayer (molecular rather than atomic states), with antiferromagnetic ordering within layers. The weak and frustrated magnetic coupling between cells may account for the small spin entropy that is removed at the Néel transition at 105 K and the lack of any diffraction peak at the Néel point.     

Quantum kinetic equations in systems with bound states

Starting from the quantum mechanical BBGKY-hierarchy kinetic equations in systems with two particles bound states are given in this paper. With this equation it is possible to consider transport properties in nonideal gases with three particles reactions.     

Quantum molecular dynamics simulation for fragmentation of arginine molecule induced by ion impact

15 keV Ga⁺ ion impact and the thermal decomposition of arginine molecules has been simulated by quantum molecular dynamics (QMD). We obtained the calculated mass spectra which express the distribution for fragment molecule generated by ion impact or thermal decomposition. From the comparison between the experimental TOF-SIMS spectra and the calculated spectra, we discussed the fragmentation mechanism of arginine molecule by Ga⁺ ion impact.     

晶体相场法模拟纳米晶材料反霍尔-佩奇效应的微观变形机理

采用晶体相场模型模拟获得了平均晶粒尺寸从11.61–31.32 nm的纳米晶组织, 研究了单向拉伸过程纳米晶组织的强化规律的微观变形机理. 模拟结果表明: 晶粒转动、晶界迁移等晶间变形行为是纳米晶材料的主要微观变形方式, 纳米晶尺寸减小, 有利于晶粒转动, 使屈服强度降低, 显示出反霍尔-佩奇效应.当纳米晶较小时, 变形量超过屈服点达到4%, 位错运动开启, 其对变形的直接贡献有限, 主要通过改变晶界结构而影响变形行为, 位错运动破坏三叉晶界, 引发晶界弯曲, 促进晶界迁移. 随纳米晶增大, 晶粒转动困难, 出现晶界锯齿化并发射位错的现象. 关键词： 晶体相场 纳米晶 反霍尔-佩奇效应 微观变形     

Quantum transport in molecular nanowires transistors

Nanotube-based field effect transistors can be prepared by laying carbon nanotubes over electrolithographically deposited gold electrodes on silicon chips. These devices can be used to study the physical properties of the nanotubes and to investigate the electrical behaviour of the contacts between the electrodes and the tubes. From the experience with these devices technologies of chemical self-assembly can be developed which will allow for integration densities higher than achievable by purely lithographic means.     

Quantum theory of the magneto-optical effect induced by Ni ions in barium ferrites

To reveal the physical origin of the giant magneto-optical enhancement of Ni²⁺ ions in barium ferrite, quantitative calculations of the contributions of both the intra-ionic electric dipole transition between the 3d⁸ and 3d^{7 4p} configurations of the Ni²⁺ ions and the intra-ionic electric dipole transition induced by odd-parity crystal field terms are presented. It is deduced that the transition is important in the origin of the considered magneto-optical enhancement. The most important factor is the Ni-Fe superexchange interaction; since it is strong enough, the Faraday rotation produced by the Ni²⁺ ions is large though the energy difference between the 3d⁸ and 3 d7 4 p configurations is large. It is demonstrated that though the intra-ionic electric dipole transition does produce Faraday rotation peaks in the visible range, their magnitude is too small to explain the observed Faraday rotation. The effect of the spin-orbit interaction on the Faraday rotation is analysed. The spin-orbit interaction of the ground configuration plays a very important role in the occurrence of Faraday effects, but the Faraday rotation does not increase linearly with the strength of the spin-orbit coupling. On the contrary, the spin-orbit interaction of the excited configuration has almost no effect on the Faraday rotation. It is shown that the mixing of the different multiplets of the ground term induced by the crystal field has a great influence on the magneto-optical properties. Received 7 January 1998     

Quantum pump effect induced by a linearly polarized microwave in a two-dimensional electron gas

A quantum pump effect is predicted in an ideal homogeneous two-dimensional electron gas (2DEG) that is normally irradiated by linearly polarized microwaves (MW). Without considering effects from spin-orbital coupling or the magnetic field, it is found that a polarized MW can continuously pump electrons from the longitudinal to the transverse direction, or from the transverse to the longitudinal direction, in the central irradiated region. The large pump current is obtained for both the low frequency limit and the high frequency case. Its magnitude depends on sample properties such as the size of the radiated region, the power and frequency of the MW, etc. Through the calculated results, the pump current should be attributed to the dominant photon-assisted tunneling processes as well as the asymmetry of the electron density of states with respect to the Fermi energy.     

Quantum momentum distribution and kinetic energy in solid 4He

We present measurements of neutron scattering from solid 4He at high momentum transfer. The solid is held close to the melting line at molar volume 20.87 cm3/mol and temperature T=1.6 K. From the data, we determine the shape of the momentum distribution, n(k), of atoms in the solid and the leading final state contribution to the scattering. We show that n(k) in this highly anharmonic, quantum solid differs significantly from a Gaussian. The n(k) is more sharply peaked with larger occupation of low momentum states than in a Maxwell-Boltzmann distribution, as found in liquid 4He and predicted qualitatively by path integral Monte Carlo calculations. The atomic kinetic energy is =(24.25+/-0.30) K. If n(k) is assumed to be Gaussian, as is usually the practice, a 10% smaller is obtained.     

D2/H2 quantum sieving in microporous carbons: a theoretical study on the effects of pore size and pressure

The adsorption of hydrogen and deuterium in slit-shaped carbon pores is studied by grand canonical Monte Carlo simulations. All interactions are assumed to be of Lennard–Jones type, while the Feynman–Hibbs expression is used to account for quantum effects. The interaction energy of both isotopes inside the slit pore space is discussed thoroughly. Furthermore, pure component adsorption isotherms of both isotopes were simulated at 77?K for pressures up to 20?bar in slit pores having widths of up to 2.0?nm. According to our simulations, in equilibrium, slit pores reveal slight deuterium selectivity over hydrogen, and this quantum-based selectivity depends both on pressure and pore size.     

Quantum effect in one-body dissipation

The influence of quantum effects on the one-body dissipation has been studied in a Monte-Carlo simulation method. The dissappearance of quantum effects with increasing amplitude of the oscillation is demonstrated.     

Quantum kinetic theory of phonon-assisted carrier transitions in nitride-based quantum-dot systems

A microscopic theory for the interaction of carriers with LO phonons is used to study the ultrafast carrier dynamics in nitride-based semiconductor quantum dots. It is shown that the efficiency of scattering processes is directly linked to quasi-particle renormalizations. The electronic states of the interacting system are strongly modified by the combined influence of quantum confinement and polar coupling. Inherent electrostatic fields, typical for InGaN/GaN quantum dots, do not limit the fast scattering channels.     

Quantum kinetic theory of trapped particles in a strong electromagnetic field

The idea of treating quantum systems by semiclassical representations using effective quantum potentials (forces) has been successfully applied in equilibrium by many authors, see e.g. [D. Bohm, Phys. Rev. 85 (1986) 166 and 180; D.K. Ferry, J.R. Zhou, Phys. Rev. B 48 (1993) 7944; A.V. Filinov, M. Bonitz, W. Ebeling, J. Phys. A 36 (2003) 5957 and references cited therein]. Here, this idea is extended to nonequilibrium quantum systems in an external field. A gauge-invariant quantum kinetic theory for weakly inhomogeneous charged particle systems in a strong electromagnetic field is developed within the framework of nonequilibrium Green’s functions. The equation for the spectral density is simplified by introducing a classical (local) form for the kinetics. Nonlocal quantum effects are accounted for in this way by replacing the bare external confinement potential with an effective quantum potential. The equation for this effective potential is identified and solved for weak inhomogeneity in the collisionless limit. The resulting nonequilibrium spectral function is used to determine the density of states and the modification of the Born collision operator in the kinetic equation for the Wigner function due to quantum confinement effects.     

Progress in molecular organic electroluminescent materials

Efficient electroluminescence from sublimated organic films at low voltage was first reported in 1987. Since then, an important volume of academic and industrial research has been realized in order to develop new efficient materials with high life time but also to optimize the technological steps of the devices fabrication. So, in this paper, the best known materials to date are described.     

Shubnikov-de haas effect in kinetic approximation

The transverse and longitudinal magneto-conductivity of an electron-impurity system is calculated using a kinetic approximation based on the Mori formalism. The numerical results agree qualitatively with measurements on narrow gap semiconductors.Dedicated to B. Mühlschlegel on the occasion of his 60th birthday