Restudy on the wave functions of Gamma(nS) states in the light-front quark model and the radiative decays of Gamma(nS) -> eta(b) + gamma

The light-front quark model has been applied to calculate the transition matrix elements of heavy hadron decays. However, it is noted that using the traditional wave functions of the light-front quark model given in the literature, the theoretically determined decay constants of the Gamma(nS) obviously contradict the data. This implies that the wave functions must be modified. Keeping the orthogonality among the nS states and fitting their decay constants, we obtain a series of the wave functions for Gamma(nS). Based on these wave functions and by analogy with the hydrogen atom, we suggest a modified analytical form for the Gamma(nS) wave functions. Using the modified wave functions, the obtained decay constants are close to the experimental data. Then we calculate the rates of radiative decays of Gamma(nS) -> eta(b) + gamma. Our predictions are consistent with the experimental data on decays Gamma(3S) -> eta(b) + gamma within the theoretical and experimental errors.

Optimization of tried wave-function in quantum monte-carlo method

A method for optimizing tried wave functions in quantum Monte Carlo method has been found and used to calculate the energies of molecules, such as H-2, Li-2, H-3+, H-3 and H-4. Good results were obtained.

Effects of the wave function localization in AlInGaN quaternary alloys

Using the first-principles band-structure method and the special quasirandom structures approach, the authors have investigated the band structure of random AlxInyGa1-x-yN quaternary alloys. They show that the wave functions of the band edge states are more localized on the InN sites. Consequently, the photoluminescence transition intensity in the alloy is higher than that in GaN. The valence band maximum state of the quaternary alloy is also higher than GaN with the same band gap, indicating that the alloy can be doped more easily as p-type. (c) 2007 American Institute of Physics.

The wave function evolution of an exciton in a bilayer system: Turning on a static in-plane electric field

The time evolution of the ground state wave function of an exciton in an ideal bilayer system is investigated within the framework of the effective-mass approximation. All of the moduli squared of the ground state wave functions evolve with time as cosine functions after an in-plane electric field is applied to the bilayer system. The variation amplitude and period of the modulus squared of the ground state wave function increase with the in-plane electric field F-r for a fixed in-plane relative coordinate r and fixed separation d between the electron and hole layers. Moreover, the variation amplitude and period of the modulus squared of the ground state wave function increase with the separation d for a fixed r and fixed in-plane electric field. Additionally, the modulus squared of the ground state wave function decreases as r increases at a given time t for fixed values of d and F-r. (c) 2007 American Institute of Physics.

Electronic states of a two-dimensional electron system in a lateral superlattice and a perpendicular magnetic field

The electronic state of a two-dimensional electron system (2DES) in the presence of a perpendicular uniform magnetic field and a lateral superlattice (LS) is investigated theoretically. A comparative study is made between a LS induced by a spatial electrostatic potential modulation (referred to as a PMLS) and that induced by a spatial magnetic-field modulation (referred ro asa MMLS). By utilizing a finite-temperature self-consistent Hartree-Fock approximation scheme; the dependence of the electronic state on different system parameters (e.g., the modulation period, the modulation strength, the effective electron-electron interaction strength, the averaged electron density, and the system temperature) is studied in detail. The inclusion of exchange effect is found to bring qualitative changes to the electronic state of a PMLS, leading generally to a nonuniform spin splitting, and consequently the behavior of the electronic state becomes similar to that of a MMLS. The Landau-level coupling is taken into account, and is found to introduce some interesting features not observed before. It is also found that, even in the regime of intermediate modulation strength, the density dependence of the spin splitting of energy levels, either for a PMLS or a MMLS, can be qualitatively understood within the picture of a 2DES in a perpendicular magnetic field with the modulation viewed as a perturbation. [S0163-1829(97)02248-0].

QUANTUM WAVE-GUIDE THEORY FOR MESOSCOPIC STRUCTURES

A one-dimensional quantum waveguide theory for mesoscopic structures is proposed, and the boundary conditions of the wave functions at an intersection are given. The Aharonov-Bohm effect is quantitatively discussed with use of this theory, and the reflection, transmission amplitudes, etc., are given as functions of the magnetic flux, the arm lengths, and the wave vector. It is found that the oscillating current consists of a significant component of the second harmonic. This theory is also applied to investigate quantum-interference devices. The results on the Aharonov-Bohm effect and the quantum-interference devices are found to be in agreement with previous theoretical results.

Calculation of Valence Subband Structures for Strained Quantum-Wells by Plane Wave Expansion Method Within 6 * 6 Luttinger-Kohn Model

The valence subband energies and wave functions of a tensile strained quantum well are calculated by the plane wave expansion method within the 6 * 6 Luttinger-Kohn model. The effect of the number and period of plane-waves used for expansion on the stability of energy eigenvalues is examined. For practical calculation, it should choose the period large sufficiently to ensure the envelope functions vanish at the boundary and the number of plane waves large enough to ensure the energy eigenvalues keep unchanged within a prescribed range.

Improved BCS-type pairing for the relativistic mean-field theory

A density-dependent delta interaction (DDDI) is proposed in the formalism of BCS-type pairing correlations for exotic nuclei whose Fermi surfaces are close to the threshold of the unbound state. It provides the possibility to pick up those states whose wave functions are concentrated in the nuclear region by making the pairing matrix elements state dependent. On this basis, the energy level distributions, occupations, and ground-state properties are self-consistently studied in the RMF theory with deformation. Calculations are performed for the Sr isotopic chain. A good description of the total energy per nucleon, deformations, two-neutron separation energies and isotope shift from the proton drip line to the neutron drip line is found. Especially, by comparing the single-particle structure from the DDDI pairing interaction with that from the constant pairing interaction for a very neutron-rich nucleus it is demonstrated that the DDDI pairing method improves the treatment of the pairing in the continuum.

Quantum Monte Carlo study of the CO interaction with a dimer model surface for Cr(110)

The chemisorption of CO on a Cr( 110) surface is investigated using the quantum Monte Carlo method in the diffusion Monte Carlo (DMC) variant and a model Cr2CO cluster. The present results are consistent with the earlier ab initio HF study with this model that showed the tilted/ near-parallel orientation as energetically favoured over the perpendicular arrangement. The DMC energy difference between the two orientations is larger (1.9 eV) than that computed in the previous study. The distribution and reorganization of electrons during CO adsorption on the model surface are analysed using the topological electron localization function method that yields electron populations, charge transfer and clear insight on the chemical bonding that occurs with CO adsorption and dissociation on the model surface.

Influence of Coulomb potential for photoionization of H atoms in an elliptically polarized laser field: Velocity gauge versus length gauge

We theoretically study the influence of Coulomb potential for photoionization of hydrogen atoms in an intense laser field with elliptical polarization. The total ionization rates, photoelectron energy spectra, and photoelectron angular distributions are calculated with the Coulomb-Volkov wave functions in the velocity gauge and compared with those calculated in the length gauge as well as those calculated with the Volkov wave functions. By comparing the results obtained by the Coulomb-Volkov and Volkov wave functions, we find that for linear polarization the influence of Coulomb potential is obvious for low-energy photoelectrons, and as the photoelectron energy and/or the laser intensity increase, its influence becomes smaller. This trend, however, is not so clear for the case of elliptical polarization. We also find that the twofold symmetry in the photoelectron angular distributions for elliptical polarization is caused by the cooperation of Coulomb potential and interference of multiple transition channels. About the gauge issue, we show that the difference in the photoelectron angular distributions obtained by the velocity and length gauges becomes rather obvious for elliptical polarization, while the difference is generally smaller for linear polarization.

Rashba electron transport in one-dimensional quantum waveguides

The properties of Rashba wave function in the planar one-dimensional waveguide are studied, and the following results are obtained. Due to the Rashba effect, the plane waves of electron with the energy E divide into two kinds of waves with the wave vectors k(1)=k(0)+k(delta) and k(2)=k(0)-k(delta), where k(delta) is proportional to the Rashba coefficient, and their spin orientations are +pi/2 (spin up) and -pi/2 (spin down) with respect to the circuit, respectively. If there is gate or ferromagnetic contact in the circuit, the Rashba wave function becomes standing wave form exp(+/- ik(delta)l)sin[k(0)(l-L)], where L is the position coordinate of the gate or contact. Unlike the electron without considering the spin, the phase of the Rashba plane or standing wave function depends on the direction angle theta of the circuit. The travel velocity of the Rashba waves with the wave vector k(1) or k(2) are the same hk(0)/m*. The boundary conditions of the Rashba wave functions at the intersection of circuits are given from the continuity of wave functions and the conservation of current density. Using the boundary conditions of Rashba wave functions we study the transmission and reflection probabilities of Rashba electron moving in several structures, and find the interference effects of the two Rashba waves with different wave vectors caused by ferromagnetic contact or the gate. Lastly we derive the general theory of multiple branches structure. The theory can be used to design various spin polarized devices.

Electronic structures of wurtzite ZnO, BeO, MgO and p-type doping in Zn1-xYxO (Y = Mg, Be)

Using the density function theory within the generalized gradient approximation, the band structures of wurtzite ZnO, BeO and MgO have been calculated. The effective-mass parameters are fitted using the calculated eigenvalues. The Dresselhaus spin-orbit effect appears in the k[1 00] direction, and is zero in the high symmetry direction k[00 1]. The orderings of valence band split by the crystal-field and spin-orbit coupling in wurtzite ZnO, BeO and MgO are identified by analyzing the wave function characters calculated by projecting the wave functions onto p-state in the spherical harmonics. For wurtzite ZnO, the ordering of valence band is Still Gamma(7) > Gamma(9) > Gamma(7) due to the negative spin-orbit coupling splitting energy and the positive crystal-field splitting energy. Thus, the Thomas' conclusion is confirmed. For wurtzite BeO and MgO, although their orderings of valence bands are Gamma(7) > Gamma(9) > Gamma(7) too, the origins of their orderings are different from that of wurtzite ZnO. Zn1-x,YxO (Y = Mg, Be) doped with N and P atoms have been studied using first-principles method. The calculated results show that N atom doped in Zn1-x BexO has more shallow acceptor energy level with increasing the concentration of Be atom. (C) 2008 Elsevier B.V. All rights reserved.

One-dimensional quantum waveguide theory of Rashba electrons

The ballistic spin transport in one-dimensional waveguides with the Rashba effect is studied. Due to the Rashba effect, there are two electron states with different wave vectors for the same energy. The wave functions of two Rashba electron states are derived, and it is found that their phase depend on the direction of the circuit and the spin directions of two states are perpendicular to the circuit, with the +pi/2 and -pi/2 angles, respectively. The boundary conditions of the wave functions and their derivatives at the intersection of circuits are given, which can be used to investigate the waveguide transport properties of Rashba spin electron in circuits of any shape and structure. The eigenstates of the closed circular and square loops are studied by using the transfer matrix method. The transfer matrix M(E) of a circular arc is obtained by dividing the circular arc into N segments and multiplying the transfer matrix of each straight segment. The energies of eigenstates in the closed loop are obtained by solving the equation det[M(E)-I]=0. For the circular ring, the eigenenergies obtained with this method are in agreement with those obtained by solving the Schrodinger equation. For the square loop, the analytic formula of the eigenenergies is obtained first The transport properties of the AB ring and AB square loop and double square loop are studied using the boundary conditions and the transfer matrix method In the case of no magnetic field, the zero points of the reflection coefficients are just the energies of eigenstates in closed loops. In the case of magnetic field, the transmission and reflection coefficients all oscillate with the magnetic field; the oscillating period is Phi(m)=hc/e, independent of the shape of the loop, and Phi(m) is the magnetic flux through the loop. For the double loop the oscillating period is Phi(m)=hc/2e, in agreement with the experimental result. At last, we compared our method with Koga's experiment. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3253752]

Dislocation scattering in a two-dimensional electron gas of an AlxGa1-xN/GaN heterostructure

The theoretical electron mobility limited by dislocation scattering of a two-dimensional electron gas confined near the interface of an AlxGa1-xN/GaN heterostructure is calculated. The accurate wave functions and electron distributions of the three lowest subbands for a typical structure are obtained by solving the Schrodinger and Poisson equations self-consistently. Based on the model of treating dislocation as a charged line, a simple scattering potential, a square-well potential, is utilized. The estimated mobility suggests that such a choice can simplify the calculation without introducing significant deviation from experimental data. It is also found that the dislocation scattering dominates both the low- and moderate-temperature mobilities and accounts for the nearly flattening-out behavior with increasing temperature. To clarify the role of dislocation scattering all standard scattering mechanisms are included in the calculation.

Photoluminescence pressure coefficients of InAs/GaAs quantum dots

We have investigated the ground exciton energy pressure coefficients of self-assembled InAs/GaAs quantum dots by calculating 21 systems with different quantum dot shape, size, and alloying profile using the atomistic empirical pseudopotential method. Our results confirm the experimentally observed significant reductions of the exciton energy pressure coefficients from the bulk values. We show that the nonlinear pressure coefficients of the bulk InAs and GaAs are responsible for these reductions, and the percentage of the electron wave function on top of GaAs atoms is responsible for the variation of this reduction. We also find a pressure coefficient versus exciton energy relationship which agrees quantitatively with the experimental results. We find linear relationships which can be used to get the information of the electron wave functions from exciton energy pressure coefficient measurements.