Electron elevator: Excitations across the band gap via a dynamical gap state

Lim, Anthony; Foulkes, W. M. C.; Horsfield, A. P.; Mason, D. R.; Schleife, A.; Draeger, E. W.; Correa, A. A.

doi:10.1103/PhysRevLett.116.043201

Title: Electron elevator: Excitations across the band gap via a dynamical gap state

Journal Article · Wed Jan 27 00:00:00 EST 2016 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.116.043201· OSTI ID:1351137

Lim, Anthony ^[1]; Foulkes, W. M. C. ^[1]; Horsfield, A. P. ^[1]; Mason, D. R. ^[2]; Schleife, A. ^[3]; Draeger, E. W. ^[3]; Correa, A. A. ^[3]

Imperial College, London (United Kingdom)
Culham Centre for Fusion Energy, Oxfordshire (United Kingdom)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

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.

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1351137

Alternate ID(s):: OSTI ID: 1236285

Report Number(s):: LLNL-JRNL-727624; PRLTAO

Journal Information:: Physical Review Letters, Vol. 116, Issue 4; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 52 works

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Electronic stopping and proton dynamics in InP, GaP, and In0.5Ga0.5P from first principles Lee, Cheng-Wei; Schleife, André The European Physical Journal B, Vol. 91, Issue 10 https://doi.org/10.1140/epjb/e2018-90204-8	journal	October 2018
Core Electrons in the Electronic Stopping of Heavy Ions Ullah, Rafi; Artacho, Emilio; Correa, Alfredo A. Physical Review Letters, Vol. 121, Issue 11 https://doi.org/10.1103/physrevlett.121.116401	journal	September 2018
Electronic energy-loss mechanisms for H, He, and Ne in TiN Sortica, M. A.; Paneta, V.; Bruckner, B. Physical Review A, Vol. 96, Issue 3 https://doi.org/10.1103/physreva.96.032703	journal	September 2017
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Electronic stopping and proton dynamics in InP, GaP, and In$_{0.5}$Ga$_{0.5}$P from first principles Lee, Cheng-Wei; Schleife, André arXiv https://doi.org/10.48550/arxiv.1803.10182	text	January 2018
Velocity Dependent Dark Matter Interactions in Single-Electron Resolution Semiconductor Detectors with Directional Sensitivity Heikinheimo, Matti; Nordlund, Kai; Tuominen, Kimmo arXiv https://doi.org/10.48550/arxiv.1903.08654	text	January 2019
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