SELF-CONSISTENT ELECTRONIC-STRUCTURE CALCULATION OF RECTANGULAR MODULATION-DOPED GAAS/GA1-XALXAS QUANTUM WIRES

A method for the self-consistent calculation of rectangular quantum wires is presented and used for the analysis of the classical (two-dimensional well) quantum wire embedded in an infinitely extended bulk. The method relies on the Fourier expansion of the wave functions and on using the structural symmetry properties for computation time savings. Furthermore, Lowdin's perturbation method is also employed to increase efficiency. Calculations are performed at room temperature and at a number of dopant densities, and the influence of structure parameters is analyzed.