Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies
Processes involving ultrafast laser driven electron-phonon dynamics play a fundamental role in the response of quantum systems in a growing number of situations of interest, as evinced by phenomena such as strongly driven phase transitions and light driven engineering of material properties. To show...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2024-01-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.6.013069 |
| _version_ | 1797210279438712832 |
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| author | Kevin Lively Shunsuke A. Sato Guillermo Albareda Angel Rubio Aaron Kelly |
| author_facet | Kevin Lively Shunsuke A. Sato Guillermo Albareda Angel Rubio Aaron Kelly |
| author_sort | Kevin Lively |
| collection | DOAJ |
| description | Processes involving ultrafast laser driven electron-phonon dynamics play a fundamental role in the response of quantum systems in a growing number of situations of interest, as evinced by phenomena such as strongly driven phase transitions and light driven engineering of material properties. To show how these processes can be captured from a computational perspective, we simulate the transient absorption spectra and high-harmonic generation signals associated with valley selective excitation and intraband charge-carrier relaxation in monolayer hexagonal boron nitride. We show that the multitrajectory Ehrenfest dynamics approach, implemented in combination with real-time time-dependent density-functional theory and tight-binding models, offers a simple, accurate, and efficient method to study ultrafast electron-phonon coupled phenomena in solids under diverse pump-probe regimes which can be easily incorporated into the majority of real-time ab initio software packages. |
| first_indexed | 2024-04-24T10:08:04Z |
| format | Article |
| id | doaj.art-025d37f7ac4947968fc5df6d24fe9091 |
| institution | Directory Open Access Journal |
| issn | 2643-1564 |
| language | English |
| last_indexed | 2024-04-24T10:08:04Z |
| publishDate | 2024-01-01 |
| publisher | American Physical Society |
| record_format | Article |
| series | Physical Review Research |
| spelling | doaj.art-025d37f7ac4947968fc5df6d24fe90912024-04-12T17:38:17ZengAmerican Physical SocietyPhysical Review Research2643-15642024-01-016101306910.1103/PhysRevResearch.6.013069Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopiesKevin LivelyShunsuke A. SatoGuillermo AlbaredaAngel RubioAaron KellyProcesses involving ultrafast laser driven electron-phonon dynamics play a fundamental role in the response of quantum systems in a growing number of situations of interest, as evinced by phenomena such as strongly driven phase transitions and light driven engineering of material properties. To show how these processes can be captured from a computational perspective, we simulate the transient absorption spectra and high-harmonic generation signals associated with valley selective excitation and intraband charge-carrier relaxation in monolayer hexagonal boron nitride. We show that the multitrajectory Ehrenfest dynamics approach, implemented in combination with real-time time-dependent density-functional theory and tight-binding models, offers a simple, accurate, and efficient method to study ultrafast electron-phonon coupled phenomena in solids under diverse pump-probe regimes which can be easily incorporated into the majority of real-time ab initio software packages.http://doi.org/10.1103/PhysRevResearch.6.013069 |
| spellingShingle | Kevin Lively Shunsuke A. Sato Guillermo Albareda Angel Rubio Aaron Kelly Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies Physical Review Research |
| title | Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies |
| title_full | Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies |
| title_fullStr | Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies |
| title_full_unstemmed | Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies |
| title_short | Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies |
| title_sort | revealing ultrafast phonon mediated inter valley scattering through transient absorption and high harmonic spectroscopies |
| url | http://doi.org/10.1103/PhysRevResearch.6.013069 |
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