Evolution of Spin and Charge in a System with Interacting Impurity and Conducting Electrons ＊

We investigate the dynamics of spin and charge in an interacting system consisting of impurity and conduct-ing electrons. The time evolution of spin and charge in the impurity is given by solving the time-dependent Schroedinger equations for the many-body states of the interacting system. By switching on the interaction be-tween impurity and conducting electrons, the spin and charge of the impurity begin oscillations with frequencies that reflect the elementary excitations of the interacting system. The dynamics reflects the basic picture of the Kondo effect.     

Effect of electric field on the electronic spectrum and the persistent current of a quantum ring with two electrons

The effect of an electric field E on a narrow quantum ring that contains two electrons and is threaded by a magnetic flux B has been investigated. Localization of the electronic distribution and suppression of the Aharonov--Bohm oscillation (ABO) are found in the two-electron ring, which are similar to those found in a one-electron ring. However, the period of ABO in a two-electron ring is reduced by half compared with that in a one-electron ring. Furthermore, during the variation of B, the persistent current of the ground state may undergo a sudden change in sign. This change is associated with a singlet--triplet transition and has no counterpart in one-electron rings. For a given E, there exists a threshold of energy. When the energy of the excited state exceeds the threshold, the localization would disappear and the ABO would recover. The value of the threshold is proportional to the magnitude of E. Once the threshold is exceeded, the persistent current is much stronger than the current of the ground state at E=0.     

Screening of Local Magnetic Moment by Electrons of Disordered Graphene

Based on the Anderson impurity model and self-consistent approach, we investigate the condition for the screening of a local magnetic moment by electrons in graphene and the influence of the moment on electronic properties of the system. The results of numerical calculations carried out on a finite sheet of graphene show that when the Fermi energy is above the single occupancy energy and below the double occupancy energy of the local impurity, a magnetic state is possible. A phase diagram in a parameter space spanned by the Coulomb energy U and the Fermi energy is obtained to distinguish the parameter regions for the magnetic and nonmagnetic states of the impurity. We find that the combined effect of the impurity and finite size effect results in a large charge density near the edges of the finite graphene sheet. The density of states exhibits a peak at the Dirac point which is caused by the appearance of the edge states localized at the zigzag edges of the sheet.     

Quantum Rings with Two Deeply Bound Electrons under a Magnetic Field

A model is proposed to study the quantum rings with two deeply bound electrons under a variable magnetic field. The emphasis is placed to clarify the effect of the size （diameter） and the width of the ring on the fractional Aharonov-Bohm oscillation. It was found that the reduction of size will lead to a very strong oscillation in the ground state energy and in the persistent current. The electronic correlation has also been demonstrated by showing the nodal structures of wave functions.     

Determination of the vapor–liquid transition of square-well particles using a novel generalized-canonical-ensemble-based method

The square-well(SW) potential is one of the simplest pair potential models and its phase behavior has been clearly revealed, therefore it has become a benchmark for checking new theories or numerical methods. We introduce the generalized canonical ensemble(GCE) into the isobaric replica exchange Monte Carlo(REMC) algorithm to form a novel isobaric GCE-REMC method, and apply it to the study of vapor–liquid transition of SW particles. It is validated that this method can reproduce the vapor–liquid diagram of SW particles by comparing the estimated vapor–liquid binodals and the critical point with those from the literature. The notable advantage of this method is that the unstable vapor–liquid coexisting states,which cannot be detected using conventional sampling techniques, are accessed with a high sampling efficiency. Besides,the isobaric GCE-REMC method can visit all the possible states, including stable, metastable or unstable states during the phase transition over a wide pressure range, providing an effective pathway to understand complex phase transitions during the nucleation or crystallization process in physical or biological systems.     

Spin-polarized quantum transport through an Aharonov--Bohm quantum-dot-ring

In this paper the quantum transport through an Aharonov--Bohm (AB) quantum-dot-ring with two dot-array arms described by a single-band tight-binding Hamiltonian is investigated in the presence of additional magnetic fields applied to the dot-array arms to produce spin flip of electrons. A far richer interference pattern than that in the charge transport alone is found. Besides the usual AB oscillation the tunable spin polarization of the current by the magnetic flux is a new observation and is seen to be particularly useful in technical applications. The spectrum of transmission probability is modulated by the quantum dot numbers on the up-arc and down-arc of the ring, which, however, does not affect the period of the AB oscillation.     

First principles study on the charge density and the bulk modulus of the transition metals and their carbides and nitrides

A first principles study of the electronic properties and bulk modulus （B0） of the fcc and bcc transition metals, transition metal carbides and nitrides is presented. The calculations were performed by plane-wave pseudopotential method in the framework of the density functional theory with local density approximation. The density of states and the valence charge densities of these solids are plotted. The results show that B0 does not vary monotonically when the number of the valence d electrons increases. B0 reaches a maximum and then decreases for each of the four sorts of solids. It is related to the occupation of the bonding and anti-bonding states in the solid. The value of the valence charge density at the midpoint between the two nearest metal atoms tends to be proportional to B0.     

Evolution of magnetic domain structure of martensite in Ni–Mn–Ga films under the interplay of the temperature and magnetic field

Ferromagnetic shape memory Ni-Mn-Ga films with 7M modulated structure were prepared on MgO （001） substrates by magnetron sputtering. Magnetization process with a typical two-hysteresis loop indicates the occurrence of the reversible magnetic field-induced reorientation. Magnetic domain structure and twin structure of the film were controlled by the in- terplay of the magnetic and temperature field. With cooling under an out-of-plane magnetic field, the evolution of magnetic domain structure reveals that martensitic transformation could be divided into two periods： nucleation and growth. With an in-plane magnetic field applied to a thermomagnetic-treated film, the evolution of magnetic domain structure gives evidence of a reorientation of twin variants of martensite. A microstructural model is described to define the twin structure and to produce the magnetic domain structure at the beginning of martensitic transformation; based on this model, the relationship between the twin structure and the magnetic domain structure for the treated film under an in-plane field is also described.     

Pressure influence on the Stark effect of impurity states in a strained wurtzite GaN/AlxGa1-xN heterojunction

A variational method is adopted to investigate the properties of shallow impurity states near the interface in a free strained wurtzite GaN/AlxGa1-xN heterojunction under hydrostatic pressure and external electric field by using a simplified coherent potential approximation. Considering the biaxial strain due to lattice mismatch or epitaxial growth and the uniaxial strains effects, we investigated the Stark energy shift led by an external electric field for impurity states as functions of pressure as well as the impurity position, Al component and areal electron density. The numerical result shows that the binding energy near linearly increases with pressure from 0 to 10 GPa. It is also found that the binding energy as a function of the electric field perpendicular to the interface shows an un-linear red shift or a blue shift for different impurity positions. The effect of increasing x on blue shift is more significant than that on the red shift for the impurity in the channel near the interface. The pressure influence on the Stark shift is more obvious with increase of electric field and the distance between an impurity and the interface. The increase of pressure decreases the blue shift but increases the red shift.     

Exact solution of a topological spin ring with an impurity

The spin-1/2 Heisenberg chain coupled to a spin-S impurity moment with anti-periodic boundary condition is studied via the off-diagonal Bethe ansatz method. The twisted boundary breaks the U(1) symmetry of the system, which leads to that the spin ring with impurity can not be solved by the conventional Bethe ansatz methods. By combining the properties of the R-matrix, the transfer matrix, and the quantum determinant, we derive the T –Q relation and the corresponding Bethe ansatz equations. The residual magnetizations of the ground states and the impurity specific heat are investigated. It is found that the residual magnetizations in this model strongly depend on the constraint of the topological boundary condition, the inhomogeneity of the impurity comparing with the hosts could depress the impurity specific heat in the thermodynamic limit. This method can be expand to other integrable impurity models without U(1) symmetry.     

Electrostatic interaction of a spherical particle in the vicinity of a circular orifice

The electrostatic interaction of a charged spherical particle in the vicinity of an orifice plane has been investigated in this paper.The particle can creep along the axis of the orifice and is immersed in a bulk electrolyte.By solving the Poisson-Boltzmann problem,we have obtained the effective electrostatic interaction for several values of reduced orifice radius h,including the cases of h > 1,h = 1 and h < 1.Two kinds of boundary conditions of the orifice plane are considered.One is the constant potential model corresponding to a conducting plane,the other is the constant charge model.In the constant potential model,there is an electrostatic attraction between the particle and the orifice plane when they get close to each other,while there is a pure electrostatic repulsion in the constant charge model.The interactions in both boundary models are sensitive to the parameters of the reduced orifice radius,the reduced particle-orifice distance,surface charge densities of the particle and orifice plane,and the reduced Debye screen constant corresponding to the salt-ion concentration and ion valence.     

Self-consistent analysis of double-δ-doped InAlAs/InGaAs/InP HEMTs

We have carried out a theoretical study of double-5-doped InAlAs/InGaAs/InP high electron mobility transistor （HEMT） by means of the finite differential method. The electronic states in the quantum well of the HEMT are calculated self-consistently. Instead of boundary conditions, initial conditions are used to solve the Poisson equation. The concentration of two-dimensional electron gas （2DEG） and its distribution in the HEMT have been obtained. By changing the doping density of upper and lower impurity layers we find that the 2DEG concentration confined in the channel is greatly affected by these two doping layers. But the electrons depleted by the Schottky contact are hardly affected by the lower impurity layer. It is only related to the doping density of upper impurity layer. This means that we can deal with the doping concentrations of the two impurity layers and optimize them separately. Considering the sheet concentration and the mobility of the electrons in the channel, the optimized doping densities are found to be 5 × 10^12 and 3× 10^12 cm^-2 for the upper and lower impurity layers, respectively, in the double-5-doped InAlAs/InGaAs/InP HEMTs.     

The dissociation pathways of N2+ in intense femtosecond laser fields

Using a neutral N2 beam as target,this paper studies the dissociation of N2+ in intense femtosecond laser fields(45 fs,～1×10 16 W/cm 2) at the laser wavelength of 800 nm based on the time-of-flight mass spectra of N + fragment ions.The angular distributions of N+ and the laser power dependence of N + yielded from different dissociation pathways show that the dissociation mechanisms mainly proceed through the couplings between the metastable states(A,B and C) and the upper excited states of N2+.A coupling model of light-dressed potential energy curves of N+2 is used to interpret the kinetic energy release of N+.     

Multi-component C-KdV Hierarchy of Soliton Equations and Its Multi-component Integrable Coupling System

A new simple loop algebra G^-M is constructed, which is devoted to establishing an isospectral problem. By making use of Tu scheme, the multi-component C-KdV hierarchy is obtained. Further, an expanding loop algebra F^-M of the loop algebra G^-M is presented. Based on F^-M , the multi-component integrable coupling system of the multi-component C-KdV hierarchy is worked out. The method can be used to other nonlinear evolution equations hierarchy.     

Spin polarization effect for Co2 molecule

The density functional theory (DFT)(b3p86) of Gaussian 03 has been used to optimize the structure of the Co$_{2}$ molecule, a transition metal element molecule. The result shows that the ground state for the Co$_{2}$ molecule is a 7-multiple state, indicating a spin polarization effect in the Co$_{2}$ molecule. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state is not mingled with wavefunctions of higher-energy states. So for the ground state of Co$_{2}$ molecule to be a 7-multiple state is the indicative of spin polarization effect of the Co$_{2}$ molecule, that is, there exist 6 parallel spin electrons in a Co$_{2}$ molecule. The number of non-conjugated electrons is the greatest. These electrons occupy different spacial orbitals so that the energy of the Co$_{2}$ molecule is minimized. It can be concluded that the effect of parallel spin in the Co$_{2}$ molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state and the other states of the Co$_{2}$ molecule are derived. The dissociation energy $De$ for the ground state of Co$_{2}$ molecule is 4.0489eV, equilibrium bond length $R_{\rm e}$ is 0.2061~nm, and vibration frequency $\omega _\e $ is 378.13~cm$^{ - 1}$. Its diatomic molecule force constants $f_2$, $f_3$, and $f_4$ are 2.4824~aJ$\cdot$nm$^{ - 2}$, -7.3451~aJ$\cdot$nm$^{ - 3}$, and 11.2222~aJ$\cdot$nm$^{ - 4 }$respectively(1~aJ=$10^{-18}$~J). The other spectroscopic data for the ground state of Co$_{2}$ molecule $\omega_{\e}\chi _{\e}$, $B_{\e}$, and $\alpha_{\e}$ are 0.7202~cm$^{-1}$, 0.1347~cm$^{-1 }$, and 2.9120$\times $ 10$^{-1}$~cm$^{-1}$ respectively. And $\omega_{\e}\chi _{\e}$ is the non-syntonic part of frequency, $B_{\e}$ is the rotational constant, $\alpha_{\e}$ is revised constant of rotational constant for non-rigid part of Co$_2$ molecule.     

An integrable Hamiltonian hierarchy, a high-dimensional loop algebra and associated integrable coupling system

A subalgebra of loop algebra ?_2 is established. Therefore, a new isospectral problem is designed. By making use of Tu's scheme, a new integrable system is obtained, which possesses bi-Hamiltonian structure. As its reductions, a formalism similar to the well-known Ablowitz－Kaup－Newell－Segur (AKNS) hierarchy and a generalized standard form of the Schr?dinger equation are presented. In addition, in order for a kind of expanding integrable system to be obtained, a proper algebraic transformation is supplied to change loop algebra ?_2 into loop algebra ?_1. Furthermore, a high-dimensional loop algebra is constructed, which is different from any previous one. An integrable coupling of the system obtained is given. Finally, the Hamiltonian form of a binary symmetric constrained flow of the system obtained is presented.     

Critical Number of Fermion Flavors at Finite Chemical Potential in QED3

We propose a new method for calculating the dressed fermion propagator at finite chemical potential in QED3 under the rainbow approximation of Dyson-Schwinger equation. In the above approximation, we show that the dressed fermion propagator at finite chemical potential # has the form S（p） = iγ.p^-A（p^-2） ＋ B（ p^-2） with p^-μ= （p^-1p3 ＋ iμ）. Using this form of fermion propagator at nonzero chemical potential, we investigate the Dyson-Schwinger equation for the dressed fermion propagator at finite chemical potential and study the effects of the chemical potential on the critical number of the fermion flavors.     

在HT-7托卡马克上密度扫描实验中的边界湍流和输运

在HT-7托卡马克上密度扫描实验中使用一个快速扫描气动朗缪尔探针来研究边界湍流和输运。随着中心弦平均等离子体密度的增加，在等离子体边界观察到径向电场剪切增强，径向电场的增强能够解释边界输运的减小和全局粒子约束的改善。粒子约束时间的增加和垂直扩散系数的减小证明粒子输运降低了。在等离子体边界区域发现电离和辐射驱动湍流的特征，表明电离和辐射在湍流驱动过程中具有重要性。     

Mottness,phase string,and high-Tc superconductivity

It is a great discovery in physics of the twentieth century that the elementary particles in nature are dictated by gauge forces, characterized by a nonintegrable phase factor that an elementary particle of charge $q$ acquires from $A$ to $B$ points: $P \exp \left( \text{i} \frac q {\hbar c}\int_A^B A_{\mu}\text{d} x^{\mu}\right),$ where $A_{\mu}$ is the gauge potential and $P$ stands for path ordering. In a many-body system of strongly correlated electrons, if the so-called Mott gap is opened up by interaction, the corresponding Hilbert space will be fundamentally changed. A novel nonintegrable phase factor known as phase-string will appear and replace the conventional Fermi statistics to dictate the low-lying physics. Protected by the Mott gap, which is clearly identified in the high-$T_{\rm c}$ cuprate with a magnitude $> 1.5$ eV, such a singular phase factor can enforce a fractionalization of the electrons, leading to a dual world of exotic elementary particles with a topological gauge structure. A non-Fermi-liquid "parent" state will emerge, in which the gapless Landau quasiparticle is only partially robust around the so-called Fermi arc regions, while the main dynamics are dominated by two types of gapped spinons. Antiferromagnetism, superconductivity, and a Fermi liquid with full Fermi surface can be regarded as the low-temperature instabilities of this new parent state. Both numerics and experiments provide direct evidence for such an emergent physics of the Mottness, which lies in the core of a high-$T_{\rm c}$ superconducting mechanism.     

Measurement of CP violation in stop cascade decays at the LHC

We study the potential observation at the LHC of CP-violating effects in stop production and subsequent cascade decays, , , , within the Minimal Supersymmetric Standard Model. We study T-odd asymmetries based on triple products between the different decay products. There may be a large CP asymmetry at the parton level, but there is a significant dilution at the hadronic level after integrating over the parton distribution functions. Consequently, even for scenarios where large CP intrinsic asymmetries are expected, the measurable asymmetry is rather small. High luminosity and precise measurements of masses, branching ratios and CP asymmetries may enable measurements of the CP-violating parameters in cascade decays at the LHC.