|Version 4 (modified by mkuroda, 8 years ago) (diff)|
CNTphonons: Calculates the phonon band structure of carbon nanotubes using the zone folding method.
Welcome to the CNTphonons development area. This project is for people actively developing source code and documentation for this tool.
- GettingStarted - learn how to download the current code and make changes
- TicketSystem - use trouble tickets to report problems and document ideas for future development
What is CNTphonons?
CNTphononband is a Matlab Script that calculates the phonon band structure E(q) and the corresponding density of states DOS(E) for any arbitrary carbon nanotube. The calculation is based on the zone folding method using parameters obtained for graphene. This tool complements CNTbands, developed by J. Guo.
Related documents and links:
- Description of the model:
- Saito, T. Takeya, T. Kimura, G. Dresselhaus, and M. S. Dresselhaus "Raman intensity of single-wall carbon nanotubes," Phys. Rev. B 57, 41454153 (1998).
- Some further reading regarding limitations of the model and a different set of parameters for the dynamical matrix.
- Dubay and G. Kresse, "Accurate density functional calculations for the phonon dispersion relations of graphite layer and carbon nanotubes," Phys. Rev. B 67, 035401 (2003).
How do I use this site?
You can edit any of the pages in this site and add information. For more instructions, see: