Excitonic effects in the optical spectra of Li2SiO3 compound

Abstract Li2SiO3 compound exhibits unique electronic and optical properties. The state-of-the-art analyses, which based on first-principle calculations, have successfully confirmed the concise physical/chemical picture and the orbital bonding in Li–O and Si–O bonds. Especially, the unusual optical r...

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Autores principales: Nguyen Thi Han, Vo Khuong Dien, Ming-Fa Lin
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Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/d967878a6af645839e0ad9d64264a3e9
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spelling oai:doaj.org-article:d967878a6af645839e0ad9d64264a3e92021-12-02T14:17:27ZExcitonic effects in the optical spectra of Li2SiO3 compound10.1038/s41598-021-87269-w2045-2322https://doaj.org/article/d967878a6af645839e0ad9d64264a3e92021-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-87269-whttps://doaj.org/toc/2045-2322Abstract Li2SiO3 compound exhibits unique electronic and optical properties. The state-of-the-art analyses, which based on first-principle calculations, have successfully confirmed the concise physical/chemical picture and the orbital bonding in Li–O and Si–O bonds. Especially, the unusual optical response behavior includes a large red shift of the onset frequency due to the extremely strong excitonic effect, the polarization of optical properties along three-directions, various optical excitations structures and the most prominent plasmon mode in terms of the dielectric functions, energy loss functions, absorption coefficients and reflectance spectra. The close connections of electronic and optical properties can identify a specific orbital hybridization for each distinct excitation channel. The presented theoretical framework will be fully comprehending the diverse phenomena and widen the potential application of other emerging materials.Nguyen Thi HanVo Khuong DienMing-Fa LinNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-10 (2021)
institution DOAJ
collection DOAJ
language EN
topic Medicine
R
Science
Q
spellingShingle Medicine
R
Science
Q
Nguyen Thi Han
Vo Khuong Dien
Ming-Fa Lin
Excitonic effects in the optical spectra of Li2SiO3 compound
description Abstract Li2SiO3 compound exhibits unique electronic and optical properties. The state-of-the-art analyses, which based on first-principle calculations, have successfully confirmed the concise physical/chemical picture and the orbital bonding in Li–O and Si–O bonds. Especially, the unusual optical response behavior includes a large red shift of the onset frequency due to the extremely strong excitonic effect, the polarization of optical properties along three-directions, various optical excitations structures and the most prominent plasmon mode in terms of the dielectric functions, energy loss functions, absorption coefficients and reflectance spectra. The close connections of electronic and optical properties can identify a specific orbital hybridization for each distinct excitation channel. The presented theoretical framework will be fully comprehending the diverse phenomena and widen the potential application of other emerging materials.
format article
author Nguyen Thi Han
Vo Khuong Dien
Ming-Fa Lin
author_facet Nguyen Thi Han
Vo Khuong Dien
Ming-Fa Lin
author_sort Nguyen Thi Han
title Excitonic effects in the optical spectra of Li2SiO3 compound
title_short Excitonic effects in the optical spectra of Li2SiO3 compound
title_full Excitonic effects in the optical spectra of Li2SiO3 compound
title_fullStr Excitonic effects in the optical spectra of Li2SiO3 compound
title_full_unstemmed Excitonic effects in the optical spectra of Li2SiO3 compound
title_sort excitonic effects in the optical spectra of li2sio3 compound
publisher Nature Portfolio
publishDate 2021
url https://doaj.org/article/d967878a6af645839e0ad9d64264a3e9
work_keys_str_mv AT nguyenthihan excitoniceffectsintheopticalspectraofli2sio3compound
AT vokhuongdien excitoniceffectsintheopticalspectraofli2sio3compound
AT mingfalin excitoniceffectsintheopticalspectraofli2sio3compound
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