Enhancement and localization of atomistic polarity and polarizability memory in light scattering upon hydrogenation of luminescent spherical 1 nm Si nanoparticles
The classical light interactions of nanosilicon, which is a dielectric material, are exceedingly weak for radius r ≪ λ (wavelength), scaling as r6. It exhibits geometrical anisotropy-based depolarization, which is the basis for the very weak response in isotropic structures (nanosphere). Recently, s...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2023-08-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0155056 |
| _version_ | 1797689644523978752 |
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| author | Kevin Mantey Satish Rao Ammar Nayfeh Simonetta Palleschi Noha Elhalawany Laila Abuhassan Abdullah S. Aldwayyan Mohamad Alsalhi Munir H. Nayfeh |
| author_facet | Kevin Mantey Satish Rao Ammar Nayfeh Simonetta Palleschi Noha Elhalawany Laila Abuhassan Abdullah S. Aldwayyan Mohamad Alsalhi Munir H. Nayfeh |
| author_sort | Kevin Mantey |
| collection | DOAJ |
| description | The classical light interactions of nanosilicon, which is a dielectric material, are exceedingly weak for radius r ≪ λ (wavelength), scaling as r6. It exhibits geometrical anisotropy-based depolarization, which is the basis for the very weak response in isotropic structures (nanosphere). Recently, surface enhanced Raman scattering (SERS) in DNA decorated with ultrasmall Si nanoparticles has been demonstrated, affording an effective alternative to plasmon–metal particles. In this paper, we execute fundamental quantum atomistic computation of 1 nm hydrogenated Si particles, with different surface reconstruction and termination, including Si–H, H–Si–Si–H (dimer molecules), or oxygenated dimer bridges (H–Si–O–Si–H). We obtain the mechanical vibrational modes of the particles. Our results show that by changing the surface configuration one can control the symmetry and normal vibration modes, and enhance the polarizability, polarity, and light interactions (scattering, absorption, and depolarization/memory). The low frequency polarizability (Raman scattering) shifts spatially from the interior to the surface, while the infrared polarity remains on the surface, but its bandwidth narrows spectrally. The results support previous infrared absorption and light scattering and depolarization measurements, as well recent SERS, which enable Si nanoparticles to be an effective alternative to plasmonic metal particles. Molecular surface reconstruction in terms of Si dimers and bridges were suggested as the source of the novel nonlinear and anisotropic luminescence and photonic properties of Si nanoparticles. Such control affords potential for optimizing the design and operation of a wide range of opto-electronic advanced scattering and luminescence devices. |
| first_indexed | 2024-03-12T01:48:08Z |
| format | Article |
| id | doaj.art-32ad92de321a48b98659bde7542dad9f |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-03-12T01:48:08Z |
| publishDate | 2023-08-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-32ad92de321a48b98659bde7542dad9f2023-09-08T16:03:30ZengAIP Publishing LLCAIP Advances2158-32262023-08-01138085205085205-1510.1063/5.0155056Enhancement and localization of atomistic polarity and polarizability memory in light scattering upon hydrogenation of luminescent spherical 1 nm Si nanoparticlesKevin Mantey0Satish Rao1Ammar Nayfeh2Simonetta Palleschi3Noha Elhalawany4Laila Abuhassan5Abdullah S. Aldwayyan6Mohamad Alsalhi7Munir H. Nayfeh8Department of Physics, University of Illinois at Urbana-Champaign, 1110 W Green Street, Urbana, Illinois 61801, USADepartment of Physics, University of Illinois at Urbana-Champaign, 1110 W Green Street, Urbana, Illinois 61801, USADepartment of Physics, University of Illinois at Urbana-Champaign, 1110 W Green Street, Urbana, Illinois 61801, USADepartment of Physics, University of Illinois at Urbana-Champaign, 1110 W Green Street, Urbana, Illinois 61801, USADepartment of Physics, University of Illinois at Urbana-Champaign, 1110 W Green Street, Urbana, Illinois 61801, USADepartment of Physics, University of Illinois at Urbana-Champaign, 1110 W Green Street, Urbana, Illinois 61801, USADepartment of Physics, University of Illinois at Urbana-Champaign, 1110 W Green Street, Urbana, Illinois 61801, USADepartment of Physics, University of Illinois at Urbana-Champaign, 1110 W Green Street, Urbana, Illinois 61801, USADepartment of Physics, University of Illinois at Urbana-Champaign, 1110 W Green Street, Urbana, Illinois 61801, USAThe classical light interactions of nanosilicon, which is a dielectric material, are exceedingly weak for radius r ≪ λ (wavelength), scaling as r6. It exhibits geometrical anisotropy-based depolarization, which is the basis for the very weak response in isotropic structures (nanosphere). Recently, surface enhanced Raman scattering (SERS) in DNA decorated with ultrasmall Si nanoparticles has been demonstrated, affording an effective alternative to plasmon–metal particles. In this paper, we execute fundamental quantum atomistic computation of 1 nm hydrogenated Si particles, with different surface reconstruction and termination, including Si–H, H–Si–Si–H (dimer molecules), or oxygenated dimer bridges (H–Si–O–Si–H). We obtain the mechanical vibrational modes of the particles. Our results show that by changing the surface configuration one can control the symmetry and normal vibration modes, and enhance the polarizability, polarity, and light interactions (scattering, absorption, and depolarization/memory). The low frequency polarizability (Raman scattering) shifts spatially from the interior to the surface, while the infrared polarity remains on the surface, but its bandwidth narrows spectrally. The results support previous infrared absorption and light scattering and depolarization measurements, as well recent SERS, which enable Si nanoparticles to be an effective alternative to plasmonic metal particles. Molecular surface reconstruction in terms of Si dimers and bridges were suggested as the source of the novel nonlinear and anisotropic luminescence and photonic properties of Si nanoparticles. Such control affords potential for optimizing the design and operation of a wide range of opto-electronic advanced scattering and luminescence devices.http://dx.doi.org/10.1063/5.0155056 |
| spellingShingle | Kevin Mantey Satish Rao Ammar Nayfeh Simonetta Palleschi Noha Elhalawany Laila Abuhassan Abdullah S. Aldwayyan Mohamad Alsalhi Munir H. Nayfeh Enhancement and localization of atomistic polarity and polarizability memory in light scattering upon hydrogenation of luminescent spherical 1 nm Si nanoparticles AIP Advances |
| title | Enhancement and localization of atomistic polarity and polarizability memory in light scattering upon hydrogenation of luminescent spherical 1 nm Si nanoparticles |
| title_full | Enhancement and localization of atomistic polarity and polarizability memory in light scattering upon hydrogenation of luminescent spherical 1 nm Si nanoparticles |
| title_fullStr | Enhancement and localization of atomistic polarity and polarizability memory in light scattering upon hydrogenation of luminescent spherical 1 nm Si nanoparticles |
| title_full_unstemmed | Enhancement and localization of atomistic polarity and polarizability memory in light scattering upon hydrogenation of luminescent spherical 1 nm Si nanoparticles |
| title_short | Enhancement and localization of atomistic polarity and polarizability memory in light scattering upon hydrogenation of luminescent spherical 1 nm Si nanoparticles |
| title_sort | enhancement and localization of atomistic polarity and polarizability memory in light scattering upon hydrogenation of luminescent spherical 1 nm si nanoparticles |
| url | http://dx.doi.org/10.1063/5.0155056 |
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