pySED

To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.

Main features

• Output a very nice SED image
• Using Lorentz to fitting the SED peak
• Fit all peaks at once and output phonon lifetimes, or can fit them individually
• Simple and easy to use
• Phonon lifetime can only be obtained qualitatively
• Can be used in parallel and get SED results quickly

Installation instructions

1. From source code

# python setup.py install --user --prefix=

For convenience, you may want to copy (or link) the files inside scripts folder to a location included in $PATH environment variable

2. From pip install (in anaconda environment)

# pip install pySED-phonon

Usage

Here three example are provided to show how to use pySED. If one can reproduce the case in the example, one should use the program.

If I have the time, I might provide a detailed tutorial manual.

References

• J. M. Larkin, Ph.D. thesis, Carnegie Mellon University, 2013
• Larkin, et al., Phys. Rev. B 81, 081411(R) (2010)
• J. E. Turney, E. S. Landry, A. J. H. McGaughey, and C. H. Amon, Phys. Rev. B 79, 064301 (2009).
• A. J. H. McGaughey and M. Kaviany, Phys. Rev. B 69, 094303 (2004).
• https://github.com/tyst3273/phonon-sed

If you use pySED, the following citations are highly recommended:

• Li, J., Ying, P., Liang, T., Du, Y., Zhou, J., & Zhang, J. (2023)
• Penghua Ying, Ting Liang, Ke Xu, Jin Zhang, Jianbin Xu, Zheng Zhong, and Zheyong Fan (2023)

Contact info

Ting Liang liangting.zj@gmail.com