Academic Journal
Ultrafast relaxation of symmetry-breaking photo-induced atomic forces
| العنوان: | Ultrafast relaxation of symmetry-breaking photo-induced atomic forces |
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| المؤلفون: | O'Mahony, Shane M., Murphy-Armando, Felipe, Murray, Éamonn D., Querales-Flores, José D., Savić, Ivana, Fahy, Stephen B. |
| بيانات النشر: | American Physical Society |
| سنة النشر: | 2019 |
| المجموعة: | University College Cork, Ireland: Cork Open Research Archive (CORA) |
| مصطلحات موضوعية: | Electron relaxation, Electron-phonon coupling, Phonons, Photoinduced effect, Ultrafast phenomena, Elemental materials, Semimetals, Boltzmann theory, Density functional theory, Optical absorption spectroscopy, Photoexcitation |
| الوصف: | We present a first-principles method for the calculation of the temperature-dependent relaxation of symmetry-breaking atomic driving forces in photoexcited systems. We calculate the phonon-assisted decay of the photoexcited force on the low-symmetry Eg mode following absorption of an ultrafast pulse in Bi, Sb, and As. The force decay lifetimes for Bi and Sb are of the order of 10 fs and in agreement with recent experiments, demonstrating that electron-phonon scattering is the primary mechanism relaxing the symmetry-breaking forces. Calculations for a range of absorbed photon energies suggest that larger amplitude, symmetry-breaking atomic motion may be induced by choosing a pump photon energy which maximizes the product of the initial Eg force and its lifetime. The high-symmetry A1g force undergoes a partial decay to a nonzero constant on similar timescales, which has not yet been measured in experiments. The average imaginary part of the electron self-energy over the photoexcited carrier distribution provides a crude indication of the decay rate of symmetry-breaking forces. |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | application/pdf |
| اللغة: | English |
| تدمد: | 1079-7114 0031-9007 |
| Relation: | info:eu-repo/grantAgreement/SFI/SFI Investigator Programme/12/IA/1601/IE/Ultrafast energy dissipation in semimetals and semiconductors: Simulation based on first-principles electronic structure theory/; https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.123.087401; 087401; O’Mahony, S. M., Murphy-Armando, F., Murray, É. D., Querales-Flores, J. D., Savić, I. and Fahy, S. (2019) 'Ultrafast Relaxation of Symmetry-Breaking Photo-Induced Atomic Forces', Physical Review Letters, 123(8), 087401. (6pp.) DOI:10.1103/PhysRevLett.123.087401; Physical review letters; http://hdl.handle.net/10468/8819; 123 |
| DOI: | 10.1103/PhysRevLett.123.087401 |
| الاتاحة: | http://hdl.handle.net/10468/8819 https://doi.org/10.1103/PhysRevLett.123.087401 |
| Rights: | ©2019 American Physical Society. All rights reserved. |
| رقم الانضمام: | edsbas.CAD8578B |
| قاعدة البيانات: | BASE |
| تدمد: | 10797114 00319007 |
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| DOI: | 10.1103/PhysRevLett.123.087401 |