Electronic structure of Mn-doped ZnO quantum wires: A mean-field theory study

Based on the effective-mass model and the mean-field approximation, we investigate the energy levels of the electron and hole states of the Mn-doped ZnO quantum wires (x=0.0018) in the presence of the external magnetic field. It is found that either twofold degenerated electron or fourfold degenerated hole states split in the field. The splitting energy is about 100 times larger than those of undoped cases. There is a dark exciton effect when the radius R is smaller than 16.6 nm, and it is independent of the effective doped Mn concentration. The lowest state transitions split into six Zeeman components in the magnetic field, four sigma(+/-) and two pi polarized Zeeman components, their splittings depend on the Mn-doped concentration, and the order of pi and sigma(+/-) polarized Zeeman components is reversed for thin quantum wires (R < 2.3 nm) due to the quantum confinement effect.

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]

Quantum waveguide theory for hole transport in mesoscopic structures

A quantum waveguide theory is proposed for hole transport in the mesoscopic structures, including the band mixing effect. We found that due to the interference between the 'light' hole and 'heavy' wave, the transmission and reflection coefficients oscillate more irregularly as a function of incident wave vector geometry parameters. Furthermore conversion between the heavy hole and light hole states occurs at the intersection. (C) 2003 Elsevier Ltd. All rights reserved.

Energy level analyses of even-parity J=1 and 2 Rydberg states of Sn I by multichannel quantum defect theory

This paper analyzes the energy levels along the even-parity J=1 and 2 Rydberg series of Sn I by multichannel quantum defect theory. A good agreement between theoretical and experimental energy levels was achieved. Below 59198 cm~(-1), a total of 85 and 23 new energy levels, respectively, in the J=1 and J=2 series, which cannot be measured previously by experiments, are predicted in this work. Based on the calculated admixture coefficients of each channel, interchannel interactions were discussed in detail. The results are helpful to understand the characteristics of configuration interaction among even-parity levels in Sn I.

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.

Pb isotope shifts in the relativistic mean field theory

The ground state properties of the Pb isotopic are studied by using the axially deformed relativistic mean field (RMF) calculation with the parameter set TM1. The pairing correlation is treated by the BCS method and the isospin dependent pairing force is used. The 'blocking' method is used to deal with unpaired nucleons. The theoretical results show that the relativistic mean field theory with non-linear self-interactions of mesons provides a good description of the binding energy and neutron separation energy. The present paper focus on the physical mechanism of the Pb isotope shifts.

Properties and structure of N = Z nuclei within relativistic mean field theory

The axially deformed relativistic mean field theory with the force NLSH has been performed in the blocked BCS approximation to investigate the proper-ties and structure of N=Z nuclei from Z=20 to Z=48. Some ground state quantities such as binding energies, quadrupole deformations, one/two-nucleon separation energies, root-mean-squaxe (rms) radii of charge and neutron, and shell gaps have been calculated. The results suggest that large deformations can be found in medium-heavy nuclei with N=Z=38-42. The charge and neutron rms radii increase rapidly beyond the magic number N=Z=28 until Z=42 with increasing nucleon number, which is similar to isotope shift, yet beyond Z=42, they decrease dramatically as the structure changes greatly from Z=42 to Z=43. The evolution of shell gaps with proton number Z can be clearly observed. Besides the appearance of possible new shell closures, some conventional shell closures have been found to disappear in some region. In addition, we found that the Coulomb interaction is not strong enough to breakdown the shell structure of protons in the current region.

Study of morphology and phase diagram of the H-shaped (AC)B(CA) ternary block copolymers using self-consistent field theory

By using a combinatorial screening method based on the self-consistent field theory (SCFT) for polymer systems, the micro-phase morphologies of the H-shaped (AC)B(CA) ternary block copolymer system are studied in three-dimensional (3D) space. By systematically varying the volume fractions of the components A, B, and C, six triangle phase diagrams of this H-shaped (AC)B(CA) ternary block copolymer system with equal interaction energies among the three components are constructed from the weaker segregation regime to the strong segregation regime, In this study, thirteen 3D micro-phase morphologies for this H-shaped ternary block copolymer system are identified to be stable and seven 3D microphase morphologies are found to be metastable.

Simulation Study of Aggregate Morphologies Formed by ABC Linear Triblock Copolymers in a Selective Solvent Through the Self-Consistent Field Theory

The effect of the hydrophobic properties of blocks B and C on the aggregate morphologies formed by ABC linear triblock copolymers in selective solvent was studied through the self-consistent field theory. Five typical micelles, such as core-shell-corona, hamburger-like, segmented-wormlike, were obtained by changing the hydrophobic properties of blocks B and C. The simulation results indicate that the shape and size of micelle are basically controlled by the hydrophobic degree of the middle block B, whereas the type of micelle is mainly determined by the hydrophobic degree of the end block C.

A self-consistent field theory study on the morphologies of linear ABCBA and H-shaped (AB)(2)C(BA)(2) block copolymers

By using a combinatorial screening method based on the self-consistent field theory, we investigate the equilibrium morphologies of linear ABCBA and H-shaped (AB)(2)C(BA)(2) block copolymers in two dimensions. The triangle phase diagrams of both block copolymers are constructed by systematically varying the volume fractions of blocks A, B, and C. In this study, the interaction energies between species A, B, and C are set to be equal. Four different equilibrium morphologies are identified, i.e., the lamellar phase (LAM), the hexagonal lattice phase (HEX), the core-shell hexagonal lattice phase (CSH), and the two interpenetrating tetragonal lattice phase (TET2). For the linear ABCBA block copolymer, the reflection symmetry is observed in the phase diagram except for some special grid points, and most of grid points are occupied by LAM morphology. However, for the H-shaped (AB)(2)C(BA)(2) block copolymer, most of the grid points in the triangle phase diagram are occupied by CSH morphology, which is ascribed to the different chain architectures of the two block copolymers. These results may help in the design of block copolymers with different microstructures.