Calcul des forces d'oscillateur des premières transitions permises des donneurs dans le silicium et comparaison avec l'expérience
The calculation of the oscillator strength of the optical transitions between two electronic states necessitates the knowledge of the wave functions of these states. In the case of hydrogenic donor impurities in semiconductors, these wave functions are eigenvectors of a matrix whose elements couple hydrogenic basis wave functions of appropriate parity, angular momenta, and projection of angular momentum through a one-electron effective mass Hamiltonian, provided the set of eigenvalues of interest has been minimized with respect to the variational parameters included in the basis wave functions. In his well-known paper, Faulkner has given the eigenvalues of the first donor states for Si and Ge, but neither the eigenvectors nor the variational parameters. We have reproduced the calculations of Faulkner for Si, finding quite similar results for the eigenvalues. The coefficients of the linear combinations of the basis functions show that except for the very first levels, the labeling of the eigenvectors does not correspond to the basis function with the greatest weight, and that the labeling is somewhat arbitrary from that point of view. The eigenvectors are used to calculate the electric-dipole matrix elements. The values so obtained for the oscillator strengths are in qualitative agreement with the relative intensities of the observed lines for substitutional donors in Si. This seems to demonstrate that the eigenvectors obtained through the Rayleigh–Ritz procedure are reliable enough for the evaluation of spectroscopical quantities where they are needed.