The phonon density of states and high-resolution crystal structure of monoclinic tetracyanoethylene
S L Chaplot; R Chakravarthy; W I F David; J Tomkinson; S L Chaplot; Solid State Phys. Div., Bhabha Atomic Res. Centre, Bombay, India; R Chakravarthy; Solid State Phys. Div., Bhabha Atomic Res. Centre, Bombay, India; W I F David; Solid State Phys. Div., Bhabha Atomic Res. Centre, Bombay, India; J Tomkinson; Solid State Phys. Div., Bhabha Atomic Res. Centre, Bombay, India
Журнал:
Journal of Physics: Condensed Matter
Дата:
1991-11-25
Аннотация:
The phonon density of states in the monoclinic phase of tetracyanoethylene is investigated at 20 K using inelastic neutron scattering, and found to be in fair agreement with theoretical calculations based on a semi-rigid molecule model and 6-exponential pair potentials. The results provide support for the atom-atom potential model which was used to explain the relative stability of different phases in this solid. The monoclinic crystal structure at 295 K is also refined using powder neutron diffraction data with a higher resolution than in earlier reports. Comparison is made with the molecular geometry in the cubic phase.
294.4Кб