Calculations were made of the local densities of states of the electron and phonon spectra, of samples with stacking faults, by using the recursion method. The stacking-fault energy, and the width within which the local densities of states were changed by the stacking fault, were calculated to be 48mJ/m2 and 17.94Å, respectively; in good agreement with the experimental values of 51mJ/m2 and 18Å. It was found that the stacking-fault energy arose almost entirely from the electrons. The stacking faults scattered the electrons and phonons over about ten atomic layers. The stacking faults affected mainly the high-energy valence band and exhibited a small attraction or repulsion to the electron at certain energies. The local energy converged far more rapidly than the local density of states.

Recursion Method for Electron and Phonon Spectra of Si with Stacking Faults. Z.B.Zheng, J.L.Lee: Journal of Physics C, 1986, 19[34], 6739-50