Finite-difference calculation of the Green's function of a one-dimensional crystal: application to the Krönig-Penney potential.

We present a finite-difference scheme for computing the Green's function of a one-dimensional crystal. The method enables one to derive the band structure and the density of states of this type of structures, whatever the particular values of the potential energy. The technique also enables one to compute the influence of defects on the density of states and on the scattering of the eigenstates of the crystal. The technique is applied to the Krönig-Penney potential. In particular, we study the bound states of a square potential introduced in the crystal and their influence on the conductance of the system. We also determine the surface states induced by a termination of the Krönig-Penney potential. Our results turn out to be in excellent agreement with analytical expressions, which proves their validity and the versatility of the technique.