Very-low-energy electron diffraction on the H-terminated Si(111) surface: Ab initio pseudopotential analysis

摘要

Experimental very-low-energy electron diffraction (VLEED) data on the H-terminated Si(lll) surface are analyzed using ab initio pseudopotential band calculations performed for bulk Si and an H-Si slab. The VLEED spectral structure reflects the unoccupied E(k) of bulk Si,with the effect from the H layer being insignificant. The experimental information about the unoccupied E(k) is used to analyze the final-state effects in photoemission. [References: 32]