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

A method for the self-consistent calculation of rectangular quantum wi res is presented and used for the analysis of the classical (two-dimen sional well) quantum wire embedded in an infinitely extended bulk. The method relies on the Fourier expansion of the wave functions and on u sing 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 n umber of dopant densities, and the influence of structure parameters i s analyzed.