Lattice dynamical approach to the phase transition in A-TCNB charge-transfer crystals
β Scribed by Karl-Heinz Brose; Tadeusz Luty; Craig J. Eckhardt
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 397 KB
- Volume
- 137
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Lattice dynamical calculations have been performed for the charge-transfer complex crystal of anthracene with 1,2,4,5_tetracyanobenzene. Application is made to the orientational phase transition observed in this system. The results suggest that the high temperature phase is dynamically disordered and that the phase transition is driven by a librational phonon mode exhibiting soft mode behavior.
π SIMILAR VOLUMES
We have already proposed a convenient method to estimate the magnitude of the Peierls Ε½ . instability in finite one-and two-dimensional 1D and 2D polyenes from the viewpoint w Ε½ .x of orbital symmetry J. Chem. Phys., 103, 9726 1995 . This treatment is applied to a model system for charge-transfer co