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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2021
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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) |
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Medicine R Science Q Nguyen Thi Han Vo Khuong Dien Ming-Fa Lin Excitonic effects in the optical spectra of Li2SiO3 compound |
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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 |
_version_ |
1718391636847755264 |