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  Thermal and nonthermal melting of silicon under femtosecond x-ray irradiation

Medvedev, N., Li, Z., & Ziaja, B. (2015). Thermal and nonthermal melting of silicon under femtosecond x-ray irradiation. Physical Review B, 91(5): 054113. doi:10.1103/PhysRevB.91.054113.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-250B-C Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-250C-A
Genre: Journal Article

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PhysRevB.91.054113.pdf (Publisher version), 3MB
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http://dx.doi.org/10.1103/PhysRevB.91.054113 (Publisher version)
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 Creators:
Medvedev, Nikita1, Author
Li, Zheng1, 2, 3, Author              
Ziaja, Beata1, 4, Author
Affiliations:
1Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestrasse 85, D-22607 Hamburg, Germany, ou_persistent22              
2International Max Planck Research School for Ultrafast Imaging & Structural Dynamics (IMPRS-UFAST), Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266714              
3Department of Physics, University of Hamburg, D-20355, Hamburg, Germany, ou_persistent22              
4Institute of Nuclear Physics, Polish Academy of Sciences, Radzikowskiego 152, 31-342 Kraków, Poland, ou_persistent22              

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Free keywords: PACS numbers: 41.60.Cr, 64.70.K−, 42.65.Re, 61.80.Ba
 Abstract: As is known from visible-light experiments, silicon under femtosecond pulse irradiation can undergo so-called “nonthermal melting” if the density of electrons excited from the valence to the conduction band overcomes a certain critical value. Such ultrafast transition is induced by strong changes in the atomic potential energy surface, which trigger atomic relocation. However, heating of a material due to the electron-phonon coupling can also lead to a phase transition, called “thermal melting.” This thermal melting can occur even if the excited-electron density is much too low to induce nonthermal effects. To study phase transitions, and in particular, the interplay of the thermal and nonthermal effects in silicon under a femtosecond x-ray irradiation, we propose their unified treatment by going beyond the Born-Oppenheimer approximation within our hybrid model based on tight-binding molecular dynamics. With our extended model we identify damage thresholds for various phase transitions in irradiated silicon. We show that electron-phonon coupling triggers the phase transition of solid silicon into a low-density liquid phase if the energy deposited into the sample is above ∼0.65 eV per atom. For the deposited doses of over ∼0.9 eV per atom, solid silicon undergoes a phase transition into high-density liquid phase triggered by an interplay between electron-phonon heating and nonthermal effects. These thresholds are much lower than those predicted with the Born-Oppenheimer approximation (∼2.1 eV/atom), and indicate a significant contribution of electron-phonon coupling to the relaxation of the laser-excited silicon. We expect that these results will stimulate dedicated experimental studies, unveiling in detail various paths of structural relaxation within laser-irradiated silicon.

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Language(s): eng - English
 Dates: 2014-11-212015-02-262015-02-01
 Publication Status: Published in print
 Pages: 10
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1103/PhysRevB.91.054113
arXiv: 1504.05053
 Degree: -

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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 91 (5) Sequence Number: 054113 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: /journals/resource/954925225008