Two-photon absorption: Difference between revisions
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== DFT calculations == | == DFT calculations == | ||
Here we provide input files for QuantumEspresso both the self-consistent calculation and the non-self-consistent: | Here we provide input files for QuantumEspresso both the self-consistent calculation and the non-self-consistent: [https://www.attaccalite.com/tutorials_yambo/QE_silicon.tgz QE_silicon.tgz] <br> | ||
Run them, import the wave-function in Yambo and do the setup. (see previous tutorials). | Run them, import the wave-function in Yambo and do the setup. (see previous tutorials). | ||
Revision as of 14:53, 26 March 2024
In this tutorial we will show how to calculate two-photon absorption(TPA) in bulk silicon, following the approach descried in Ref. [1].
In this tutorial we suppose you are already familiar with the non-linear response using the Yambo code.
If it is not the case please study the previous tutorials: Linear response using Dynamical Berry Phase and Real time approach to non-linear response (SHG).
The tutorial is divided in different steps from the DFT calculation to the final TPA spectrum.
DFT calculations
Here we provide input files for QuantumEspresso both the self-consistent calculation and the non-self-consistent: QE_silicon.tgz
Run them, import the wave-function in Yambo and do the setup. (see previous tutorials).
Removing symmetries
Calculations at different field intensities
Use Richardson extrapolation to extract the TPA
References
- ↑ Two-photon absorption in two-dimensional materials: The case of hexagonal boron nitride Claudio Attaccalite, Myrta Grüning, Hakim Amara, Sylvain Latil, and François Ducastelle Phys. Rev. B 98, 165126 (2018)