Molecular Vibrations and Mean Square Amplitudes. Supplement III Mean Amplitudes of Vibration for Inorganic Six‐Atomic Molecules

Abstract

Review of mean amplitudes of vibration for inorganic six‐atomic molecules from spectroscopic calculations and electrondiffraction‐data. The work contains new results of spectroscopic mean amplitudes and force constants for a number of molecules, viz.: S6, N2O4, B2F4, N2H4, N2F4, P2I4 and SOF4.

Structure and properties of amorphous silicon-metal alloys: I. The Si1-xNixsystem

“…This method gave values of 1.4 ± 0.2 eV and 0.1 ± 0.2 eV for the band gaps of a-Si and a-Si 0.88 Ni 0.12 respectively. The gap in crystalline Si is usually quoted as 1.2 eV [16], in agreement with that found for a-Si, although a slightly smaller band gap is expected in amorphous solids in relation to their crystalline counterparts because of disorder induced tailing of states into the gap.…”

“…The Si-Ni Debye-Waller factor is found to be independent of composition at about (100-150) × 10 −4 Å 2 . The room-temperature thermal contribution, calculated using a method proposed by Cyrin [16] with a stretch frequency of 680 cm −1 [8], is only 30 × 10 −4 Å 2 so this bond shows a considerable degree of static disorder. Using the Debye theory [17] to calculate the room-temperature thermal contribution to the Debye-Waller factor of the Ni-Ni bond gives a value of 40 × 10 −4 Å 2 if the Debye temperature is taken to be 450 K [18].…”