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Time-resolved Optical Properties of SiNW Oriented in <211> Crystallographic Direction

Published online by Cambridge University Press:  13 June 2019

Fatima ,
Aaron Forde ,
Talgat M. Inerbaev ,
Nuri Oncel  and
Dmitri S. Kilin
Fatima
Affiliation:
Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota58108, USA
Aaron Forde
Affiliation:
Department of Materials Science and Nanotechnology, North Dakota State University, Fargo, North Dakota58102, United States
Talgat M. Inerbaev
Affiliation:
Sobolev Institute of Geology and Mineralogy, SB RAS, Novosibirsk, 630090, Russian Federation L.N. Gumilyov Eurasian National University, Astana010008, Kazakhstan
Nuri Oncel
Affiliation:
Department of Physics & Astrophysics, University of North Dakota, Grand Forks, North Dakota58202, USA
Dmitri S. Kilin*
Affiliation:
Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota58108, USA
*
*(Email: [email protected])
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Abstract

Silicon nanowires (SiNWs) show unique optoelectronic properties such as band gap, radiative and nonradiative relaxations. In this research, the optoelectronic properties of <211> SiNW are calculated by combining time-dependent density matrix methodology. Description of photo-excited dynamics processes is enabled by computing “on–the–fly” nonadiabatic couplings (NAC) between electronic and nuclear degrees of freedom using density functional theory (DFT). The dynamics of electronic degrees of freedom is propagated by the reduced density matrix with Redfield equation of motion. Oscillator strengths are used to compute radiative relaxation and to generate time resolved photoluminescence (PL) spectrum. Analysis of the simulated nonradiative decay shows that high-energy photoexcitation relaxes to the band gap edge on the order of 1 ps. We also simulate time-resolved emission spectra of the <211> SiNW that reveals optical emissions above the optical band gap. These emission features are attributed to the interband transitions. The results of this study can be useful for the material choice for optoelectronic applications.

Keywords

nanostructureoptoelectronicoptical propertieselectron-phonon interactionsphotoemission
Type
Articles
Information
MRS Advances , Volume 4 , Issue 36: Energy and Sustainability , 2019 , pp. 2009 - 2014
Copyright
Copyright © Materials Research Society 2019 

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