Abstract
Evidence is presented for nonrigid thermal vibrations of crystal-bound silicon atoms, using an extensive set of measured structure factors accurate to 0.1%. A model allowing for a different Debye-Waller factor (DWF) for each electronic shell is found to fit all well with four such factors. DWF’s refined from using calculated shell-by-shell partial structure factors yield good agreement with earlier results derived from low-order reflections but not with ab initio shell-model calculations. Also, no evidence is found for an anharmonic term in the atomic potential.
- Received 28 August 1989
DOI:https://doi.org/10.1103/PhysRevB.40.11666
©1989 American Physical Society