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Title: | Band gap reduction in highly-strained silicon beams predicted by first-principles theory and validated using photoluminescence spectroscopy | Authors: | Roisin, Nicolas Colla, Marie-Stéphane SCAFFIDI, Romain Pardoen, Thomas Flandre, Denis Raskin, Jean-Pierre |
Issue Date: | 2023 | Publisher: | ELSEVIER | Source: | OPTICAL MATERIALS, 144 (Art N° 114347) | Abstract: | A theoretical study of the band gap reduction under tensile stress is performed and validated through experimental measurements. First-principles calculations based on density functional theory (DFT) are performed for uniaxial stress applied in the [001], [110] and [111] directions. The calculated band gap reductions are equal to 126, 240 and 100 meV at 2% strain, respectively. Photoluminescence spectroscopy experiments are performed by deformation applied in the [110] direction. Microfabricated specimens have been deformed using an on-chip tensile technique up to 1% as confirmed by back-scattering Raman spectroscopy. A fitting correction based on the band gap fluctuation model has been used to eliminate the specimen interference signal and retrieve reliable values. Very good agreement is observed between first-principles theory and experimental results with a band gap reduction of, respectively, 93 and 91 meV when the silicon beam is deformed by 0.95% along the [110] direction. | Notes: | Roisin, N (corresponding author), Catholic Univ Louvain, Inst Informat & Commun Technol Elect & Appl Math I, Pl Levant 3, B-1348 Louvain La Neuve, Belgium. nicolas.roisin@uclouvain.be |
Keywords: | Silicon;Strain;Deformation;Photoluminescence;First-principles;Band gap | Document URI: | http://hdl.handle.net/1942/41410 | ISSN: | 0925-3467 | e-ISSN: | 1873-1252 | DOI: | 10.1016/j.optmat.2023.114347 | ISI #: | 001150018000001 | Rights: | 2023 Elsevier B.V. All rights reserved. | Category: | A1 | Type: | Journal Contribution |
Appears in Collections: | Research publications |
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preprint.pdf Until 2024-10-01 | Peer-reviewed author version | 2.59 MB | Adobe PDF | View/Open Request a copy |
published.pdf Restricted Access | Published version | 1.71 MB | Adobe PDF | View/Open Request a copy |
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