Phonon spectrum in first stage graphite-lithium intercalation compound
β Scribed by R.S. Narayanan; H.C. Gupta; B.B. Tripathi
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 249 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0008-6223
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β¦ Synopsis
Phonon dispersion relations have studied for the first stage ~raphile-lithium intercalation compound C,Li using an angular force model approach. We have used the stacking sequence CaCnCa in the present case.
A good agreement is seen when compared with the experimental results, suggesting that the angular forces play an important role in explaining the phonon spectra of layered structures. We obtain a satisfactory agreement for the elastic constants C, and C,, when compared with experiment.
π SIMILAR VOLUMES
We report the results of self-consistent band structure calculations for Li&, LiC,\*, and LiCls in idealized crystal structures representing first, second, and third stage intercalation compounds. Results for LiC,\* indicate that 90% of the net excess charge is localized in the region between the tw