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Title: 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:
 [1];  [1];  [1];  [2];  [3];  [3];  [3]
  1. Imperial College, London (United Kingdom)
  2. Culham Centre for Fusion Energy, Oxfordshire (United Kingdom)
  3. 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. doi: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. doi: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 = {2016},
month = {1}
}

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Cited by: 9 works
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