Exciton-phonon coupling and luminescence: Difference between revisions
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Hsiao-Yi Chen, Davide Sangalli, and Marco Bernardi,Phys. Rev. Lett. '''125''', 107401(2020)</ref> | Hsiao-Yi Chen, Davide Sangalli, and Marco Bernardi,Phys. Rev. Lett. '''125''', 107401(2020)</ref> | ||
We will consider as example bulk silicon. Notice that parameters of the present tutorial are not at convergence, but are just as a possible example. | We will consider as example bulk silicon. Notice that parameters of the present tutorial are not at convergence, but are just as a possible example.<br> | ||
The tutorial includes several steps and the calculations can be quite expensive. | The tutorial includes several steps and the calculations can be quite expensive. | ||
'''Electron-phonon matrix elements''' | '''Electron-phonon matrix elements''':<br> | ||
First of all we calculate electron-phonon matrix elements as explained in the section: [http://www.yambo-code.org/wiki/index.php?title=Electron_Phonon_Coupling#Electron-phonon_matrix_elements Electron-phonon matrix elements]. | First of all we calculate electron-phonon matrix elements as explained in the section: [http://www.yambo-code.org/wiki/index.php?title=Electron_Phonon_Coupling#Electron-phonon_matrix_elements Electron-phonon matrix elements]. | ||
Revision as of 09:41, 21 February 2022
This tutorial works only with Yambo version > 6.x
The exciton-phonon part of Yambo does not support symmetries yet!!!
This an advanced tutorial, in order to calculate exciton-phonon coupling and phonon-assisted absorption/emission you need a deep knowledge of the theory and of the Yambo code.
In this tutorial we will calculate phonon-assisted absorption and luminescence including the scattering between exciton and phonon.[1][2][3]
We will consider as example bulk silicon. Notice that parameters of the present tutorial are not at convergence, but are just as a possible example.
The tutorial includes several steps and the calculations can be quite expensive.
Electron-phonon matrix elements:
First of all we calculate electron-phonon matrix elements as explained in the section: Electron-phonon matrix elements.
References
- ↑ Theory of phonon-assisted luminescence in solids: Application to hexagonal boron nitride, E. Cannuccia, B. Monserrat and C. Attaccalite, Phys. Rev. B 99, 081109(R) (2019)
- ↑ Exciton-Phonon Coupling in the Ultraviolet Absorption and Emission Spectra of Bulk Hexagonal Boron Nitride, F. Paleari et al. PRL 122, 187401(2019)
- ↑ Exciton-Phonon Interaction and Relaxation Times from First Principles, Hsiao-Yi Chen, Davide Sangalli, and Marco Bernardi,Phys. Rev. Lett. 125, 107401(2020)