Nanoscale ordering of planar octupolar molecules for nonlinear optics at higher temperatures

Abstract We develop scenarios for orientational ordering of an in-plane system of small flat octupolar molecules at the low-concentration limit, aiming towards nonlinear-optical (NLO) applications at room temperatures. The octupoles interact with external electric poling fields and intermolecular in...

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Autores principales:	Michał Jarema, Antoni C. Mituś, Joseph Zyss
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/ecc68cacee5e4ed187ed9217ab819e79
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spelling	oai:doaj.org-article:ecc68cacee5e4ed187ed9217ab819e792021-12-02T14:16:26ZNanoscale ordering of planar octupolar molecules for nonlinear optics at higher temperatures10.1038/s41598-021-81676-92045-2322https://doaj.org/article/ecc68cacee5e4ed187ed9217ab819e792021-01-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-81676-9https://doaj.org/toc/2045-2322Abstract We develop scenarios for orientational ordering of an in-plane system of small flat octupolar molecules at the low-concentration limit, aiming towards nonlinear-optical (NLO) applications at room temperatures. The octupoles interact with external electric poling fields and intermolecular interactions are neglected. Simple statistical-mechanics models are used to analyze the orientational order in the very weak poling limit, sufficient for retrieving the NLO signals owing to the high sensitivity of NLO detectors and measurement chains. Two scenarios are discussed. Firstly, the octupolar poling field is imparted by a system of point charges; the setup is subject to cell-related constraints imposed by mechanical strength and dielectric breakdown limit. The very weak octupolar order of benchmarking TATB molecules is shown to emerge at Helium temperatures. The second scenario addresses the dipoling of octupolar molecules with a small admixture of electric dipolar component. It requires a strong field regime to become effective at Nitrogen temperature range. An estimation of the nonlinear susceptibility coefficient matrix for both scenarios is done in the high-temperature (weak interaction) limit formalism. We argue that moderate modifications of the system like, e.g., an increase of the size of the octupole, accompanied by dipole-assisted octupoling, can increase the poling temperature above Nitrogen temperatures.Michał JaremaAntoni C. MituśJoseph ZyssNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-13 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Michał Jarema Antoni C. Mituś Joseph Zyss Nanoscale ordering of planar octupolar molecules for nonlinear optics at higher temperatures
description	Abstract We develop scenarios for orientational ordering of an in-plane system of small flat octupolar molecules at the low-concentration limit, aiming towards nonlinear-optical (NLO) applications at room temperatures. The octupoles interact with external electric poling fields and intermolecular interactions are neglected. Simple statistical-mechanics models are used to analyze the orientational order in the very weak poling limit, sufficient for retrieving the NLO signals owing to the high sensitivity of NLO detectors and measurement chains. Two scenarios are discussed. Firstly, the octupolar poling field is imparted by a system of point charges; the setup is subject to cell-related constraints imposed by mechanical strength and dielectric breakdown limit. The very weak octupolar order of benchmarking TATB molecules is shown to emerge at Helium temperatures. The second scenario addresses the dipoling of octupolar molecules with a small admixture of electric dipolar component. It requires a strong field regime to become effective at Nitrogen temperature range. An estimation of the nonlinear susceptibility coefficient matrix for both scenarios is done in the high-temperature (weak interaction) limit formalism. We argue that moderate modifications of the system like, e.g., an increase of the size of the octupole, accompanied by dipole-assisted octupoling, can increase the poling temperature above Nitrogen temperatures.
format	article
author	Michał Jarema Antoni C. Mituś Joseph Zyss
author_facet	Michał Jarema Antoni C. Mituś Joseph Zyss
author_sort	Michał Jarema
title	Nanoscale ordering of planar octupolar molecules for nonlinear optics at higher temperatures
title_short	Nanoscale ordering of planar octupolar molecules for nonlinear optics at higher temperatures
title_full	Nanoscale ordering of planar octupolar molecules for nonlinear optics at higher temperatures
title_fullStr	Nanoscale ordering of planar octupolar molecules for nonlinear optics at higher temperatures
title_full_unstemmed	Nanoscale ordering of planar octupolar molecules for nonlinear optics at higher temperatures
title_sort	nanoscale ordering of planar octupolar molecules for nonlinear optics at higher temperatures
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/ecc68cacee5e4ed187ed9217ab819e79
work_keys_str_mv	AT michałjarema nanoscaleorderingofplanaroctupolarmoleculesfornonlinearopticsathighertemperatures AT antonicmitus nanoscaleorderingofplanaroctupolarmoleculesfornonlinearopticsathighertemperatures AT josephzyss nanoscaleorderingofplanaroctupolarmoleculesfornonlinearopticsathighertemperatures
_version_	1718391699772801024

Nanoscale ordering of planar octupolar molecules for nonlinear optics at higher temperatures

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