Electron elevator: Excitations across the band gap via a dynamical gap state
Abstract
We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. Lastly, an analysis of the time dependence of the transition rates using coupled linear rate equations enables one of the excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.
- Authors:
-
- Imperial College, London (United Kingdom)
- Culham Centre for Fusion Energy, Oxfordshire (United Kingdom)
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1351137
- Alternate Identifier(s):
- OSTI ID: 1236285
- Report Number(s):
- LLNL-JRNL-727624
Journal ID: ISSN 0031-9007; PRLTAO
- Grant/Contract Number:
- AC52-07NA27344
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 116; Journal Issue: 4; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Citation Formats
Lim, Anthony, Foulkes, W. M. C., Horsfield, A. P., Mason, D. R., Schleife, A., Draeger, E. W., and Correa, A. A. Electron elevator: Excitations across the band gap via a dynamical gap state. United States: N. p., 2016.
Web. doi:10.1103/PhysRevLett.116.043201.
Lim, Anthony, Foulkes, W. M. C., Horsfield, A. P., Mason, D. R., Schleife, A., Draeger, E. W., & Correa, A. A. Electron elevator: Excitations across the band gap via a dynamical gap state. United States. https://doi.org/10.1103/PhysRevLett.116.043201
Lim, Anthony, Foulkes, W. M. C., Horsfield, A. P., Mason, D. R., Schleife, A., Draeger, E. W., and Correa, A. A. Wed .
"Electron elevator: Excitations across the band gap via a dynamical gap state". United States. https://doi.org/10.1103/PhysRevLett.116.043201. https://www.osti.gov/servlets/purl/1351137.
@article{osti_1351137,
title = {Electron elevator: Excitations across the band gap via a dynamical gap state},
author = {Lim, Anthony and Foulkes, W. M. C. and Horsfield, A. P. and Mason, D. R. and Schleife, A. and Draeger, E. W. and Correa, A. A.},
abstractNote = {We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. Lastly, an analysis of the time dependence of the transition rates using coupled linear rate equations enables one of the excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.},
doi = {10.1103/PhysRevLett.116.043201},
journal = {Physical Review Letters},
number = 4,
volume = 116,
place = {United States},
year = {Wed Jan 27 00:00:00 EST 2016},
month = {Wed Jan 27 00:00:00 EST 2016}
}
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