Two-photon absorption: Difference between revisions
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In this tutorial we will show how to calculate two-photon absorption(TPA) in bulk silicon, following the approach descried in Ref. <ref name="tpa">[https://amu.hal.science/hal-01755879/document 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) </ref>. <br>In this tutorial we suppose you are already familiar with the non-linear response using the Yambo code. <br> 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)]].<br> | In this tutorial we will show how to calculate two-photon absorption(TPA) in bulk silicon, following the approach descried in Ref. <ref name="tpa">[https://amu.hal.science/hal-01755879/document 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) </ref>. <br>In this tutorial we suppose you are already familiar with the non-linear response using the Yambo code. <br> 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)]].<br> | ||
The tutorial is divided in different steps from the DFT calculation to the final TPA spectrum. | The tutorial is divided in different steps from the DFT calculation to the final TPA spectrum. For the calculation of the TPA we will use the real-time approach proposed in Ref. <ref name=nl>[https://arxiv.org/abs/1309.4012 Nonlinear optics from an ab initio approach by means of the dynamical Berry phase: Application to second- and third-harmonic generation in semiconductors], C. Attaccalite and M. Grüning, Phys. Rev. B 88, 235113(2013)</ref> | ||
== DFT calculations == | == DFT calculations == | ||
Revision as of 15:14, 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. For the calculation of the TPA we will use the real-time approach proposed in Ref. [2]
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 run 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)
- ↑ Nonlinear optics from an ab initio approach by means of the dynamical Berry phase: Application to second- and third-harmonic generation in semiconductors, C. Attaccalite and M. Grüning, Phys. Rev. B 88, 235113(2013)