Vacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State

Based on density functional theory, we have systematically investigated the geometric, magnetic, and electronic properties of fluorographene with three types of vacancy defects. With uneven sublattice, the partial defect structures are significantly spin-polarized and present midgap electronic state...

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Autores principales:	Daozhi Li, Xiaoyang Ma, Hongwei Chu, Ying Li, Shengzhi Zhao, Dechun Li
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	fluorographene vacancy magnetic moment strain Organic chemistry QD241-441
Acceso en línea:	https://doaj.org/article/68ffa7a76b1d4d32a43e1cbfc6f85c26
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spelling	oai:doaj.org-article:68ffa7a76b1d4d32a43e1cbfc6f85c262021-11-11T18:37:38ZVacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State10.3390/molecules262166661420-3049https://doaj.org/article/68ffa7a76b1d4d32a43e1cbfc6f85c262021-11-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/21/6666https://doaj.org/toc/1420-3049Based on density functional theory, we have systematically investigated the geometric, magnetic, and electronic properties of fluorographene with three types of vacancy defects. With uneven sublattice, the partial defect structures are significantly spin-polarized and present midgap electronic states. The magnetic moment is mainly contributed by the adjacent C atoms of vacancy defects. Furthermore, the strain dependence of the bandgap is analyzed and shows a linear trend with applied strain. This defect-induced tunable narrow bandgap material has great potential in electronic devices and spintronics applications.Daozhi LiXiaoyang MaHongwei ChuYing LiShengzhi ZhaoDechun LiMDPI AGarticlefluorographenevacancymagnetic momentstrainOrganic chemistryQD241-441ENMolecules, Vol 26, Iss 6666, p 6666 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	fluorographene vacancy magnetic moment strain Organic chemistry QD241-441
spellingShingle	fluorographene vacancy magnetic moment strain Organic chemistry QD241-441 Daozhi Li Xiaoyang Ma Hongwei Chu Ying Li Shengzhi Zhao Dechun Li Vacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State
description	Based on density functional theory, we have systematically investigated the geometric, magnetic, and electronic properties of fluorographene with three types of vacancy defects. With uneven sublattice, the partial defect structures are significantly spin-polarized and present midgap electronic states. The magnetic moment is mainly contributed by the adjacent C atoms of vacancy defects. Furthermore, the strain dependence of the bandgap is analyzed and shows a linear trend with applied strain. This defect-induced tunable narrow bandgap material has great potential in electronic devices and spintronics applications.
format	article
author	Daozhi Li Xiaoyang Ma Hongwei Chu Ying Li Shengzhi Zhao Dechun Li
author_facet	Daozhi Li Xiaoyang Ma Hongwei Chu Ying Li Shengzhi Zhao Dechun Li
author_sort	Daozhi Li
title	Vacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State
title_short	Vacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State
title_full	Vacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State
title_fullStr	Vacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State
title_full_unstemmed	Vacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State
title_sort	vacancy-induced magnetism in fluorographene: the effect of midgap state
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/68ffa7a76b1d4d32a43e1cbfc6f85c26
work_keys_str_mv	AT daozhili vacancyinducedmagnetisminfluorographenetheeffectofmidgapstate AT xiaoyangma vacancyinducedmagnetisminfluorographenetheeffectofmidgapstate AT hongweichu vacancyinducedmagnetisminfluorographenetheeffectofmidgapstate AT yingli vacancyinducedmagnetisminfluorographenetheeffectofmidgapstate AT shengzhizhao vacancyinducedmagnetisminfluorographenetheeffectofmidgapstate AT dechunli vacancyinducedmagnetisminfluorographenetheeffectofmidgapstate
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Vacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State

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