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References (36)
-
V. Alex, S. Finkbeiner, J. Weber (1996)
Temperature dependence of the indirect energy gap in crystalline siliconJournal of Applied Physics, 79
-
T. Zier, E. Zijlstra, S. Krylow, Martin Garcia (2017)
Simulations of laser-induced dynamics in free-standing thin silicon filmsApplied Physics A, 123
-
J. Perdew (1986)
Density functional theory and the band gap problemInternational Journal of Quantum Chemistry, 28
-
N. Grigoryan, T. Zier, Martin Garcia, E. Zijlstra (2014)
Ultrafast structural phenomena: theory of phonon frequency changes and simulations with code for highly excited valence electron systemsJournal of The Optical Society of America B-optical Physics, 31
-
P. Tangney, S. Fahy (2002)
Density-functional theory approach to ultrafast laser excitation of semiconductors: Application to the A 1 phonon in telluriumPhysical Review B, 65
-
S. Goedecker (1999)
Linear scaling electronic structure methodsReviews of Modern Physics, 71
-
N. Mermin (1965)
Thermal Properties of the Inhomogeneous Electron GasPhysical Review, 137
-
(2018)
Nano Mater -
N. Medvedev, M. Kopecký, J. Chalupský, L. Juha (2019)
Femtosecond x-ray diffraction can discern nonthermal from thermal meltingPhysical Review B
-
T. Dumitricǎ, R. Allen (2002)
Femtosecond-scale response of GaAs to ultrafast laser pulsesPhysical Review B, 66
-
C. Shank, R. Yen, C. Hirlimann (1983)
Time-Resolved Reflectivity Measurements of Femtosecond-Optical-Pulse-Induced Phase Transitions in SiliconPhysical Review Letters, 50
-
Silvestrelli, Alavi, Parrinello, Frenkel (1996)
Ab initio Molecular Dynamics Simulation of Laser Melting of Silicon.Physical review letters, 77 15
-
E. Bothschafter, A. Paarmann, E. Zijlstra, N. Karpowicz, Martin Garcia, R. Kienberger, R. Ernstorfer (2013)
Ultrafast evolution of the excited-state potential energy surface of TiO2 single crystals induced by carrier cooling.Physical review letters, 110 6
-
W. Bludau, A. Onton, W. Heinke (1974)
Temperature dependence of the band gap of siliconJournal of Applied Physics, 45
-
S. Faleev, M. Schilfgaarde, T. Kotani, F. Léonard, M. Desjarlais (2006)
Finite-temperature quasiparticle self-consistent GW approximationPhysical Review B, 74
-
E. Zijlstra, Fairoja Cheenicode Kabeer, B. Bauerhenne, T. Zier, N. Grigoryan, Martin Garcia (2013)
Modeling of material properties after ultrashort laser and XUV excitationApplied Physics A, 110
-
B. Bauerhenne, E. Zijlstra, A. Kalitsov, Martin Garcia (2018)
Controlling Three Laser-Excited Coherent Phonon Modes in Boron Nitride Nanotubes To Produce Ultrashort Shaped Terahertz Pulses: Implications for Memory DevicesACS Applied Nano Materials
-
P. Stampfli, Bennemann Kh (1994)
Time dependence of the laser-induced femtosecond lattice instability of Si and GaAs: Role of longitudinal optical distortions.Physical review. B, Condensed matter, 49 11
-
J. Chelikowsky, M. Cohen (1974)
ELECTRONIC STRUCTURE OF SILICONPhysical Review B, 10
-
R. Braunstein, A. Moore, F. Herman (1958)
Intrinsic Optical Absorption in Germanium-Silicon AlloysPhysical Review, 109
-
M. Sussman (1963)
Growth of the cellular slime mold Polysphondylium pallidum in a simple nutrient medium.Science, 139 3552
-
C. Rischel, A. Rousse, I. Uschmann, P. Albouy, J. Geindre, P. Audebert, J. Gauthier, Eckhart Fröster, Jean‐Louis Martin, A. Antonetti (1997)
Femtosecond time-resolved X-ray diffraction from laser-heated organic filmsNature, 390
-
M. Schultze, M. Schultze, K. Ramasesha, C. Pemmaraju, Shunsuke Sato, D. Whitmore, A. Gandman, J. Prell, L. Borja, D. Prendergast, K. Yabana, D. Neumark, D. Neumark, S. Leone, S. Leone (2014)
Attosecond band-gap dynamics in siliconScience, 346
-
V. Recoules, J. Clérouin, G. Zérah, P. Anglade, S. Mazevet (2006)
Effect of intense laser irradiation on the lattice stability of semiconductors and metals.Physical review letters, 96 5
-
S. Minomura, H. Drickamer (1962)
Pressure induced phase transitions in silicon, germanium and some III–V compoundsJournal of Physics and Chemistry of Solids, 23
-
T. Zier, E. Zijlstra, Martin Garcia (2014)
Silicon before the bonds breakApplied Physics A, 117
-
E. Zijlstra, T. Zier, B. Bauerhenne, S. Krylow, Philipp Geiger, Martin Garcia (2014)
Femtosecond-laser-induced bond breaking and structural modifications in silicon, TiO$$_2$$2, and defective graphene: an ab initio molecular dynamics studyApplied Physics A, 114
-
G. Macfarlane, T. Mclean, J. Quarantine (1957)
FINE STRUCTURE IN THE ABSORPTION-EDGE SPECTRUM OF SIPhysical Review, 111
-
1245
Phys. Rev., 111
-
É. Murray, D. Fritz, J. Wahlstrand, S. Fahy, D. Reis (2005)
Effect of lattice anharmonicity on high-amplitude phonon dynamics in photoexcited bismuthPhysical Review B, 72
-
(1963)
Science 139 -
M. Harb, R. Ernstorfer, C. Hebeisen, G. Sciaini, W. Peng, Thibault Dartigalongue, M. Eriksson, Max Lagally, S. Kruglik, R. Miller (2008)
Electronically driven structure changes of Si captured by femtosecond electron diffraction.Physical review letters, 100 15
-
S. Goedecker, M. Teter, M. Teter, J. Hutter (1995)
Separable dual-space Gaussian pseudopotentials.Physical review. B, Condensed matter, 54 3
-
M. Harb, R. Ernstorfer, Thibault Dartigalongue, C. Hebeisen, R. Jordan, R. Miller (2006)
Carrier relaxation and lattice heating dynamics in silicon revealed by femtosecond electron diffraction.The journal of physical chemistry. B, 110 50
-
P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka, J. Luitz, Robert Laskowsk, Fabien Tran, L. Marks (2019)
WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties -
M. Beye, F. Sorgenfrei, W. Schlotter, W. Wurth, A. Föhlisch (2010)
The liquid-liquid phase transition in silicon revealed by snapshots of valence electronsProceedings of the National Academy of Sciences, 107
- Publisher
- de Gruyter
- Copyright
- ©2020 THOSS Media & De Gruyter, Berlin/Boston
- ISSN
- 2192-8584
- eISSN
- 2192-8584
- DOI
- 10.1515/aot-2019-0063
- Publisher site
- See Article on Publisher Site
Abstract
AbstractWe performed systematic ab-initio molecular dynamics (MD) simulations of fs-laser-excited silicon (Si) using the Te-dependent density functional theory (DFT). We considered the case in which the potential energy surface (PES) is strongly modified by the laser excitation, so that nonthermal melting occurs. We analyzed the correlation between the time dependence of electronic properties like the band gap and the laser-induced atomic motion. Surprisingly, we found that the indirect electronic band gap decreases as a universal function of the atomic mean-square displacement (MSD) almost independently of the electronic temperature (laser fluence) and that the dependence is linear for a wide range of MSDs. We also found that a universal dependence is also present when analyzing the band gap as a function of the relative Bragg peak intensities, which can be directly measured in experiments.
Journal
Advanced Optical Technologies – de Gruyter
Published: Jun 25, 2020