Fast calculation technique for scattering in T-matrix method

In scattering calculations using the T-matrix method, the calculation of the T-matrix involves multiplication and inversion of matrices. These two types of matrix operations are time-consuming, especially for the matrices with large size. Petrov et al. [D. Petrov, Y. Shkuratov, G. Videen, Opt. Lett. 32 (2007) 1168] proposed an optimized matrix inversion technique, which suggests the inversion of two matrices, each of which contains half the number of rows. This technique reduces time-consumption significantly. On the basis of this approach, we propose another fast calculation technique for scattering in the T-matrix method, which obtains the scattered fields through carrying out only the operations between matrices and the incident field coefficient. Numerical results show that this technique can decrease time-consumption by more than half that of the optimized matrix inversion technique by Petrov et al. (c) 2008 Elsevier B.V. All rights reserved.

THEORETICAL CALCULATION FOR SHUBNIKOV-DEHAAS OSCILLATIONS IN DEEP MESA STRUCTURES

We have used the rectangular confinement potential to describe Shubnikov-deHaas oscillations produced by one-dimensional electrons confined in deep mesa structures. The edge distortion of the confinement potential caused by electrostatic image forces is taken into account. The model contains no fitting parameters and relates well with experimental data. The comparison with earlier reported parabolic model is presented,

EMPIRICAL PSEUDOPOTENTIAL BAND-STRUCTURE CALCULATION FOR ZN1-XCDXSYSE1-Y QUATERNARY ALLOY

The band structure of the Zn1-xCdxSySe1-y quaternary alloy is calculated using the empirical pseudopotential method and the virtual crystal approximation. The alloy is found to be a direct-gap semiconductor for all x and y composition. Polynomial approximation is obtained for the energy gap as a function of the composition x and y. Electron and hole effective masses are also calculated along various symmetry axes for different compositions and the results agree fairly well with available experimental values.

RESONANT TUNNELING, EIGENVALUE AND ENERGY-BAND CALCULATION FOR POTENTIAL AND PERIODIC POTENTIAL STRUCTURES

Recursion formulae for the reflection and the transmission probability amplitudes and the eigenvalue equation for multistep potential structures are derived. Using the recursion relations, a dispersion equation for periodic potential structures is presented. Some numerical results for the transmission probability of a double barrier structure with scattering centers, the lifetime of the quasi-bound state in a single quantum well with an applied field, and the miniband of a periodic potential structure are presented.

CALCULATION OF SPIN-REORIENTATION TEMPERATURE IN ND2FE14B

The spin-reorientation phenomenon in Nd2Fe14B has been investigated using an angular dependent free energy approach. A magnetic Hamiltonian which includes the crystal electric field term and the exchange term has been established using realistic band structure results. The temperature dependence of the molecular field is accounted for by introducing the Brillouin function and the magnetic Hamiltonian is diagonalized within the ground state multiplet of the Nd ion. The eigenstates are then used to form the partition function for the free energy. At each temperature, the direction of the molecular field is obtained by searching for the minimum in the angular parameter space of the free energy. Our calculations show that for Nd2Fe14B, the net magnetic anisotropy direction is canted away from the c axis at a temperature close to the experimentally reported spin-reorientation temperature of 150 K. The temperature dependence of the magnetic structure is found to be very sensitive to the size of the second order crystal field parameter B20.

CALCULATION OF DIELECTRIC-CONSTANTS FOR SEMICONDUCTORS - AN APPLICATION OF ABINITIO PSEUDOPOTENTIAL METHOD

We have used ab initio pseudopotential method to generate basis wavefunctions and eigen energies to carry out first principle calculations of the static macroscopic dielectric constant for GaAs and GaP. The resulted converged random phase approximation (RPA) value is 12.55 and 10.71, in excellent agreement to the experimental value of 12.4 and 10.86, respectively. The inclusion of the exchange correlation contribution makes the calculated result slightly worsen. A convergence test with respect to the number of k points in Brillouin zone (BZ) integration was carried out. Sixty irreducible BZ k points were used to achieve the converged results. Integration with only 10 special k points increased the RPA value by 15%.