Difference between revisions of "Phonon-assisted luminescence by finite atomic displacements"

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[[File:Representative-instantaneous-atomic-configurations-of-H2O-top-and-H3O-bottom-Also.gif|200px|Yambo tutorial image]]
In recent years, several articles have been published with Yambo, who calculated the phonon-assisted luminescence by means of finite atomic displacements<ref name='cann'>[https://arxiv.org/abs/1807.11797 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)</ref><ref name='fprl'>[https://arxiv.org/abs/1810.08976 Exciton-Phonon Coupling in the Ultraviolet Absorption and Emission Spectra of Bulk Hexagonal Boron Nitride], F. Paleari et al. PRL '''122''', 187401(2019) </ref><ref>[https://arxiv.org/abs/2112.12417 Excitons under strain: light absorption and emission in strained hexagonal boron nitride],P. Lechifflart, F. Paleari and C. Attaccalite (2022). </ref><ref>[https://arxiv.org/abs/2111.03518  Phonon-Assisted Luminescence in Defect Centers from Many-Body Perturbation Theory], F. Libbi, P. M. M. C. de Melo, Z. Zanolli, M. J. Verstraete, and N. Marzari, Phys. Rev. Lett. '''128''', 167401 (2022) </ref>.
In recent years, several articles have been published with Yambo, who calculated the phonon-assisted luminescence by means of finite atomic displacements<ref name='cann'>[https://arxiv.org/abs/1807.11797 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)</ref><ref name='fprl'>[https://arxiv.org/abs/1810.08976 Exciton-Phonon Coupling in the Ultraviolet Absorption and Emission Spectra of Bulk Hexagonal Boron Nitride], F. Paleari et al. PRL '''122''', 187401(2019) </ref><ref>[https://arxiv.org/abs/2112.12417 Excitons under strain: light absorption and emission in strained hexagonal boron nitride],P. Lechifflart, F. Paleari and C. Attaccalite (2022). </ref><ref>[https://arxiv.org/abs/2111.03518  Phonon-Assisted Luminescence in Defect Centers from Many-Body Perturbation Theory], F. Libbi, P. M. M. C. de Melo, Z. Zanolli, M. J. Verstraete, and N. Marzari, Phys. Rev. Lett. '''128''', 167401 (2022) </ref>.
In this tutorial we will show how to use [https://github.com/yambo-code/yambopy YamboPy] in combination with Yambo to perform these kind of calculations. For a general review of finite displacements calculations of vibrational properties we recommend this article.<ref>Electron-phonon coupling from finite differences, Bartomeu Monserrat, J. Phys.: Condens. Matter '''30''' 083001(2018)</ref>.<br>
In this tutorial we will show how to use [https://github.com/yambo-code/yambopy YamboPy] in combination with Yambo to perform these kind of calculations. For a general review of finite displacements calculations of vibrational properties we recommend this article.<ref>Electron-phonon coupling from finite differences, Bartomeu Monserrat, J. Phys.: Condens. Matter '''30''' 083001(2018)</ref>.<br>

Revision as of 08:10, 25 April 2022

Yambo tutorial image

In recent years, several articles have been published with Yambo, who calculated the phonon-assisted luminescence by means of finite atomic displacements[1][2][3][4]. In this tutorial we will show how to use YamboPy in combination with Yambo to perform these kind of calculations. For a general review of finite displacements calculations of vibrational properties we recommend this article.[5].


References

  1. ↑ 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)
  2. ↑ Exciton-Phonon Coupling in the Ultraviolet Absorption and Emission Spectra of Bulk Hexagonal Boron Nitride, F. Paleari et al. PRL 122, 187401(2019)
  3. ↑ Excitons under strain: light absorption and emission in strained hexagonal boron nitride,P. Lechifflart, F. Paleari and C. Attaccalite (2022).
  4. ↑ Phonon-Assisted Luminescence in Defect Centers from Many-Body Perturbation Theory, F. Libbi, P. M. M. C. de Melo, Z. Zanolli, M. J. Verstraete, and N. Marzari, Phys. Rev. Lett. 128, 167401 (2022)
  5. ↑ Electron-phonon coupling from finite differences, Bartomeu Monserrat, J. Phys.: Condens. Matter 30 083001(2018)
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