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 master equation scheme of time-dependent density functional theory to time-dependent transport in nanoelectronic devices

In this work a practical scheme is developed for the first-principles study of time-dependent quantum transport. The basic idea is to combine the transport master equation with the well-known time-dependent density functional theory. The key ingredients of this paper include (i) the partitioning-free initial condition and the consideration of the time-dependent bias voltages which base our treatment on the Runge-Gross existence theorem; (ii) the non-Markovian master equation for the reduced (many-body) central system (i.e., the device); and (iii) the construction of Kohn-Sham master equations for the reduced single-particle density matrix, where a number of auxiliary functions are introduced and their equations of motion (EOMs) are established based on the technique of spectral decomposition. As a result, starting with a well-defined initial state, the time-dependent transport current can be calculated simultaneously along with the propagation of the Kohn-Sham master equation and the EOMs of the auxiliary functions.

EFFECTIVE-MASS THEORY FOR GAAS/GA1-XALXAS QUANTUM WIRES AND CORRUGATED SUPERLATTICES GROWN ON (311)-ORIENTED SUBSTRATES

The electronic structures of GaAs/Ga1-xAlxAs quantum wires (corrugated superlattices) grown on (311)-oriented substrates are studied in the framework of the effective-mass envelope-function method. The electron and hole subband structure and optical transition matrix elements are calculated. When x=1, the results are compared with experiments, and it is found that the direct transition becomes an indirect transition as the widths of well and barrier become smaller.

THEORY OF THE ELECTRONIC-STRUCTURE OF POROUS SI

A theoretical model for the electronic structure of porous Si is presented. Three geometries of porous Si (wire with square cross section, pore with square cross section, and pore with circular cross section) along both the [001] and [110] directions are considered. It is found that the confinement geometry affects decisively the ordering of conduction-band states. Due to the quantum confinement effect, there is a mixing between the bulk X and GAMMA states, resulting in finite optical transition matrix elements, but smaller than the usual direct transition matrix elements by a factor of 10(-3). We found that the strengths of optical transitions are sensitive to the geometry of the structure. For (001) porous Si the structure with circular pores has much stronger optical transitions compared to the other two structures and it may play an important role in the observed luminescence. For this structure the energy difference between the direct and the indirect conduction-band minima is very small. Thus it is possible to observe photoluminescence from the indirect minimum at room temperature. For (110) porous Si of similar size of cross section the energy gap is smaller than that of (001) porous Si. The optical transitions for all three structures of (110) porous Si tend to be much stronger along the axis than perpendicular to the axis.

EFFECTIVE-MASS THEORY FOR SUPERLATTICES GROWN ON (11N)-ORIENTED SUBSTRATES

An effective-mass formulation for superlattices grown on (11N)-oriented substrates is given. It is found that, for GaAs/AlxGa1-xAs superlattices, the hole subband structure and related properties are sensitive to the orientation because of the large anisotropy of the valence band. The energy-level positions for the heavy hole and the optical transition matrix elements for the light hole apparently change with orientation. The heavy- and light-hole energy levels at k parallel-to = 0 can be calculated separately by taking the classical effective mass in the growth direction. Under a uniaxial stress along the growth direction, the energy levels of the heavy and light holes shift down and up, respectively; at a critical stress, the first heavy- and light-hole energy levels cross over. The energy shifts caused by the uniaxial stress are largest for the (111) case and smallest for the (001) case. The optical transition matrix elements change substantially after the crossover of the first heavy- and light-hole energy has occurred.

Effective-mass theory for InAs/GaAs strained superlattices

By using the recently developed exact effective-mass envelope-function theory, the electronic structures of InAs/GaAs strained superlattices grown on GaAs (100) oriented substrates are studied. The electron and hole subband structures, distribution of electrons and holes along the growth direction, optical transition matrix elements, exciton states, and absorption spectra are calculated. In our calculations, the effects due to the different effective masses of electrons and holes in different materials and the strain are included. Our theoretical results are in agreement with the available experimental data.

Effective-mass theory for InAs/GaAs strained coupled quantum dots

In the framework of effective-mass envelope-function theory, the optical transitions of InAs/GaAs strained coupled quantum dots grown on GaAs (100) oriented substrates are studied. At the Gamma point, the electron and hole energy levels, the distribution of electron and hole wave functions along the growth and parallel directions, the optical transition-matrix elements, the exciton states, and absorption spectra are calculated. In calculations, the effects due to the different effective masses of electrons and holes in different materials are included. Our theoretical results are in good agreement with the available experimental data.

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.

Theory for determining alignment parameters of symmetric top molecule using (n+1) LIF

Expressions used for extracting the population and alignment parameters of a symmetric top molecule from (n + 1) laser-induced fluorescence (LIF) are derived by employing the tensor density matrix method. The molecular population and alignment are described by molecular state multipoles. The LIF intensity is a complex function of the initial molecular state multipoles, the dynamic factors, and the excitation-detection geometrical factors. The problem of how to extract the initial molecular state multipoles from (2 + 1) LIF, as an example, is discussed in detail. (C) 2000 American Institute of Physics. [S0021-9606(00)30744-9].