The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons

Abstract The edge states are of particular importance to understand fundamental properties of finite two-dimensional (2D) crystals. Based on first-principles calculations, we investigated on the bare zigzag boron nitride nanoribbons (zzBNNRs) with different spin-polarized states well localized at an...

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Autores principales:	Junkai Deng, Yuefeng Yin, Huanhuan Niu, Xiangdong Ding, Jun Sun, Nikhil V. Medhekar
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/1ee9caeaf156453baa97ae9536e11a66
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spelling	oai:doaj.org-article:1ee9caeaf156453baa97ae9536e11a662021-12-02T11:52:59ZThe Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons10.1038/s41598-017-08364-52045-2322https://doaj.org/article/1ee9caeaf156453baa97ae9536e11a662017-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-08364-5https://doaj.org/toc/2045-2322Abstract The edge states are of particular importance to understand fundamental properties of finite two-dimensional (2D) crystals. Based on first-principles calculations, we investigated on the bare zigzag boron nitride nanoribbons (zzBNNRs) with different spin-polarized states well localized at and extended along their edges. Our calculations examined the edge stress, which is sensitively dependent on the magnetic edge states, for either B-terminated edge or N-terminated edge. Moreover, we revealed that different magnetic configurations lead to a rich spectrum of electronic behaviors at edges. Using an uniaxial tensile strain, we proposed the magnetic phase transitions and thereby obtained the metallic to half-metallic (or reverse) phase transitions at edges. It suggests zzBNNR as a promising candidate for potential applications of non-metal spintronic devices.Junkai DengYuefeng YinHuanhuan NiuXiangdong DingJun SunNikhil V. MedhekarNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-7 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Junkai Deng Yuefeng Yin Huanhuan Niu Xiangdong Ding Jun Sun Nikhil V. Medhekar The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons
description	Abstract The edge states are of particular importance to understand fundamental properties of finite two-dimensional (2D) crystals. Based on first-principles calculations, we investigated on the bare zigzag boron nitride nanoribbons (zzBNNRs) with different spin-polarized states well localized at and extended along their edges. Our calculations examined the edge stress, which is sensitively dependent on the magnetic edge states, for either B-terminated edge or N-terminated edge. Moreover, we revealed that different magnetic configurations lead to a rich spectrum of electronic behaviors at edges. Using an uniaxial tensile strain, we proposed the magnetic phase transitions and thereby obtained the metallic to half-metallic (or reverse) phase transitions at edges. It suggests zzBNNR as a promising candidate for potential applications of non-metal spintronic devices.
format	article
author	Junkai Deng Yuefeng Yin Huanhuan Niu Xiangdong Ding Jun Sun Nikhil V. Medhekar
author_facet	Junkai Deng Yuefeng Yin Huanhuan Niu Xiangdong Ding Jun Sun Nikhil V. Medhekar
author_sort	Junkai Deng
title	The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons
title_short	The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons
title_full	The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons
title_fullStr	The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons
title_full_unstemmed	The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons
title_sort	edge stresses and phase transitions for magnetic bn zigzag nanoribbons
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/1ee9caeaf156453baa97ae9536e11a66
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The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons

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